REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ixv_1_G DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.637 174.700 -0.105 0.000 1.109 1 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 1 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 2 V N 2.423 122.267 119.914 -0.118 0.000 2.343 2 V HA -0.171 nan 4.120 nan 0.000 0.247 2 V C 1.190 177.195 176.094 -0.147 0.000 1.051 2 V CA 3.358 65.564 62.300 -0.158 0.000 1.036 2 V CB -0.353 31.381 31.823 -0.148 0.000 0.654 2 V HN 0.623 8.753 8.190 -0.099 0.000 0.451 3 A N -1.099 121.657 122.820 -0.107 0.000 1.902 3 A HA -0.345 nan 4.320 nan 0.000 0.217 3 A C 1.042 178.580 177.584 -0.078 0.000 1.181 3 A CA 3.367 55.349 52.037 -0.091 0.000 0.623 3 A CB -0.930 18.032 19.000 -0.063 0.000 0.818 3 A HN -0.065 8.029 8.150 -0.093 0.000 0.443 4 D N -2.344 118.017 120.400 -0.065 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.224 178.498 176.300 -0.044 0.000 0.987 4 D CA 3.194 57.171 54.000 -0.038 0.000 0.829 4 D CB -0.265 40.521 40.800 -0.023 0.000 0.961 4 D HN 0.023 8.233 8.370 -0.071 0.117 0.460 5 K N -0.250 120.085 120.400 -0.108 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.458 178.991 176.600 -0.111 0.000 1.049 5 K CA 3.025 59.211 56.287 -0.169 0.000 0.931 5 K CB -0.066 32.186 32.500 -0.414 0.000 0.714 5 K HN -0.553 7.518 8.250 -0.132 0.100 0.440 6 Q N -1.855 117.864 119.800 -0.135 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.449 178.402 176.000 -0.079 0.000 0.978 6 Q CA 2.940 58.663 55.803 -0.134 0.000 0.844 6 Q CB -0.255 28.382 28.738 -0.167 0.000 0.898 6 Q HN 0.017 8.100 8.270 -0.147 0.098 0.426 7 A N -1.130 121.664 122.820 -0.044 0.000 1.902 7 A HA -0.273 nan 4.320 nan 0.000 0.217 7 A C 1.271 178.883 177.584 0.046 0.000 1.181 7 A CA 2.705 54.742 52.037 -0.001 0.000 0.623 7 A CB -0.712 18.299 19.000 0.019 0.000 0.818 7 A HN -0.268 7.758 8.150 -0.051 0.094 0.443 8 R N -3.152 117.395 120.500 0.079 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.601 178.997 176.300 0.159 0.000 1.127 8 R CA 2.635 58.818 56.100 0.138 0.000 0.968 8 R CB 0.075 30.505 30.300 0.217 0.000 0.861 8 R HN -0.477 7.742 8.270 0.059 0.087 0.440 9 L N -1.043 120.285 121.223 0.175 0.000 2.083 9 L HA -0.298 nan 4.340 nan 0.000 0.209 9 L C 2.668 179.673 176.870 0.225 0.000 1.083 9 L CA 2.972 57.949 54.840 0.228 0.000 0.752 9 L CB -0.405 41.790 42.059 0.227 0.000 0.899 9 L HN -0.218 8.018 8.230 0.138 0.077 0.433 10 M N -1.132 118.500 119.600 0.053 0.000 2.086 10 M HA -0.256 nan 4.480 nan 0.000 0.261 10 M C -0.749 175.679 176.300 0.213 0.000 1.067 10 M CA 5.815 61.078 55.300 -0.062 0.000 1.116 10 M CB -2.379 29.968 32.600 -0.422 0.000 1.348 10 M HN -0.319 7.866 8.290 0.001 0.106 0.407 11 P HA -0.159 nan 4.420 nan 0.000 0.225 11 P C 0.483 177.859 177.300 0.127 0.000 1.148 11 P CA 2.261 65.486 63.100 0.208 0.000 0.779 11 P CB -0.794 31.003 31.700 0.162 0.000 0.780 12 L N -3.199 118.052 121.223 0.048 0.000 2.083 12 L HA -0.358 nan 4.340 nan 0.000 0.209 12 L C 1.678 178.388 176.870 -0.267 0.000 1.083 12 L CA 2.675 57.416 54.840 -0.166 0.000 0.752 12 L CB -0.289 41.561 42.059 -0.349 0.000 0.899 12 L HN -0.212 7.919 8.230 0.106 0.163 0.433 13 F N -4.952 115.035 119.950 0.061 0.000 2.558 13 F HA -0.221 nan 4.527 nan 0.000 0.298 13 F C 0.091 175.956 175.800 0.108 0.000 1.119 13 F CA 1.595 59.637 58.000 0.070 0.000 1.451 13 F CB -0.228 38.798 39.000 0.043 0.000 1.091 13 F HN -0.734 7.566 8.300 0.191 0.115 0.563 14 K N -2.005 118.573 120.400 0.297 0.000 2.144 14 K HA -0.022 nan 4.320 nan 0.000 0.270 14 K C -0.124 176.620 176.600 0.240 0.000 1.005 14 K CA -0.182 56.267 56.287 0.270 0.000 0.932 14 K CB 0.529 33.255 32.500 0.375 0.000 1.021 14 K HN -0.983 7.247 8.250 0.270 0.182 0.462 15 H N -1.043 118.078 119.070 0.086 0.000 2.692 15 H HA -0.328 nan 4.556 nan 0.000 0.316 15 H C 0.768 176.132 175.328 0.061 0.000 1.176 15 H CA 0.983 57.069 56.048 0.065 0.000 1.142 15 H CB -2.040 27.765 29.762 0.071 0.000 1.475 15 H HN 0.794 8.990 8.280 -0.140 0.000 0.423 16 L N -2.563 118.726 121.223 0.110 0.000 2.083 16 L HA -0.332 nan 4.340 nan 0.000 0.209 16 L C 1.636 178.602 176.870 0.160 0.000 1.083 16 L CA 2.933 57.853 54.840 0.134 0.000 0.752 16 L CB -1.113 41.048 42.059 0.170 0.000 0.899 16 L HN 0.242 8.488 8.230 0.027 0.000 0.433 17 T N -0.989 113.660 114.554 0.157 0.000 2.708 17 T HA -0.314 nan 4.350 nan 0.000 0.266 17 T C 2.133 176.913 174.700 0.134 0.000 1.037 17 T CA 4.059 66.256 62.100 0.162 0.000 1.146 17 T CB -0.714 68.243 68.868 0.148 0.000 0.865 17 T HN 0.193 8.493 8.240 0.121 0.012 0.435 18 A N 1.148 124.052 122.820 0.141 0.000 1.969 18 A HA -0.096 nan 4.320 nan 0.000 0.218 18 A C 1.220 178.859 177.584 0.093 0.000 1.169 18 A CA 2.005 54.111 52.037 0.117 0.000 0.635 18 A CB -0.883 18.202 19.000 0.142 0.000 0.810 18 A HN -0.156 8.078 8.150 0.168 0.017 0.445 19 L N -3.350 117.939 121.223 0.110 0.000 2.349 19 L HA -0.207 nan 4.340 nan 0.000 0.220 19 L C 0.584 177.493 176.870 0.065 0.000 1.130 19 L CA 1.248 56.138 54.840 0.083 0.000 0.791 19 L CB -0.179 41.934 42.059 0.091 0.000 0.918 19 L HN -0.367 7.787 8.230 0.137 0.158 0.444 20 T N -0.347 114.249 114.554 0.071 0.000 2.905 20 T HA -0.217 nan 4.350 nan 0.000 0.400 20 T C -0.689 174.031 174.700 0.033 0.000 1.098 20 T CA 0.172 62.304 62.100 0.053 0.000 1.095 20 T CB 0.200 69.103 68.868 0.059 0.000 1.281 20 T HN -0.859 7.400 8.240 0.088 0.034 0.515 21 R N 1.069 121.583 120.500 0.023 0.000 2.080 21 R HA -0.305 nan 4.340 nan 0.000 0.362 21 R C -0.993 175.310 176.300 0.006 0.000 1.156 21 R CA 1.220 57.327 56.100 0.012 0.000 0.964 21 R CB -0.368 29.938 30.300 0.010 0.000 2.865 21 R HN 0.340 8.624 8.270 0.024 0.000 0.490 22 E N 4.858 125.056 120.200 -0.002 0.000 2.051 22 E HA -0.262 nan 4.350 nan 0.000 0.192 22 E C -0.766 175.827 176.600 -0.012 0.000 0.991 22 E CA 1.359 57.752 56.400 -0.012 0.000 0.799 22 E CB -0.120 29.569 29.700 -0.019 0.000 0.748 22 E HN 0.347 8.705 8.360 -0.002 0.000 0.449 23 K N -3.232 117.163 120.400 -0.009 0.000 3.088 23 K HA -0.296 nan 4.320 nan 0.000 0.273 23 K C -1.524 175.069 176.600 -0.010 0.000 1.111 23 K CA 0.336 56.618 56.287 -0.008 0.000 0.803 23 K CB -1.088 31.407 32.500 -0.007 0.000 1.226 23 K HN -0.265 7.981 8.250 -0.007 0.000 0.485 24 L N -0.866 120.349 121.223 -0.013 0.000 2.333 24 L HA 0.369 nan 4.340 nan 0.000 0.280 24 L C -1.759 175.105 176.870 -0.010 0.000 1.004 24 L CA -2.801 52.031 54.840 -0.013 0.000 0.820 24 L CB 1.106 43.152 42.059 -0.022 0.000 1.247 24 L HN -0.276 7.945 8.230 -0.014 0.001 0.416 25 P HA 0.006 nan 4.420 nan 0.000 0.217 25 P C -1.621 175.675 177.300 -0.007 0.000 1.151 25 P CA 0.983 64.080 63.100 -0.005 0.000 0.828 25 P CB 0.281 31.981 31.700 -0.001 0.000 0.788 26 L N -3.073 118.146 121.223 -0.007 0.000 2.592 26 L HA 0.157 nan 4.340 nan 0.000 0.258 26 L C -0.451 176.412 176.870 -0.011 0.000 0.926 26 L CA -0.854 53.980 54.840 -0.009 0.000 0.885 26 L CB 2.713 44.768 42.059 -0.006 0.000 1.380 26 L HN -0.751 7.476 8.230 -0.005 0.000 0.415 27 D N 0.874 121.264 120.400 -0.018 0.000 2.317 27 D HA -0.213 nan 4.640 nan 0.000 0.211 27 D C 0.940 177.230 176.300 -0.016 0.000 0.966 27 D CA 2.239 56.225 54.000 -0.024 0.000 0.876 27 D CB 0.041 40.820 40.800 -0.036 0.000 0.927 27 D HN 0.289 8.647 8.370 -0.019 0.000 0.519 28 Q N -0.773 119.019 119.800 -0.012 0.000 2.135 28 Q HA -0.276 nan 4.340 nan 0.000 0.204 28 Q C 0.923 176.921 176.000 -0.004 0.000 0.981 28 Q CA 1.883 57.681 55.803 -0.008 0.000 0.856 28 Q CB -1.144 27.590 28.738 -0.007 0.000 0.902 28 Q HN 0.112 8.351 8.270 -0.013 0.024 0.425 29 R N -2.209 118.291 120.500 0.000 0.000 2.091 29 R HA -0.128 nan 4.340 nan 0.000 0.238 29 R C 0.010 176.316 176.300 0.010 0.000 1.136 29 R CA 1.817 57.921 56.100 0.006 0.000 0.959 29 R CB -0.330 29.978 30.300 0.013 0.000 0.856 29 R HN 0.061 8.328 8.270 -0.001 0.003 0.437 30 D N 0.380 120.784 120.400 0.007 0.000 2.470 30 D HA 0.096 nan 4.640 nan 0.000 0.226 30 D C -0.772 175.527 176.300 -0.002 0.000 1.196 30 D CA 0.434 54.439 54.000 0.008 0.000 0.979 30 D CB -1.344 39.455 40.800 -0.002 0.000 1.059 30 D HN -0.348 7.906 8.370 0.001 0.116 0.515 31 E N 2.865 123.066 120.200 0.003 0.000 2.106 31 E HA -0.315 nan 4.350 nan 0.000 0.192 31 E C 2.180 178.780 176.600 -0.001 0.000 0.984 31 E CA 3.151 59.550 56.400 -0.001 0.000 0.806 31 E CB 0.086 29.788 29.700 0.003 0.000 0.750 31 E HN -0.073 8.245 8.360 0.007 0.047 0.458 32 R N -0.766 119.738 120.500 0.007 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.329 178.629 176.300 -0.001 0.000 1.131 32 R CA 2.701 58.809 56.100 0.013 0.000 0.960 32 R CB -0.495 29.822 30.300 0.029 0.000 0.856 32 R HN 0.256 8.521 8.270 0.012 0.013 0.436 33 L N -4.338 116.875 121.223 -0.016 0.000 2.465 33 L HA -0.154 nan 4.340 nan 0.000 0.224 33 L C 1.095 177.930 176.870 -0.058 0.000 1.145 33 L CA 1.829 56.639 54.840 -0.051 0.000 0.834 33 L CB -1.158 40.859 42.059 -0.070 0.000 0.944 33 L HN -0.074 8.015 8.230 -0.009 0.136 0.451 34 K N 0.025 120.403 120.400 -0.037 0.000 2.074 34 K HA -0.318 nan 4.320 nan 0.000 0.209 34 K C 1.785 178.360 176.600 -0.042 0.000 1.048 34 K CA 2.799 59.064 56.287 -0.036 0.000 0.926 34 K CB -1.172 31.314 32.500 -0.023 0.000 0.713 34 K HN -0.243 7.804 8.250 -0.024 0.189 0.444 35 G N -1.549 107.227 108.800 -0.039 0.000 2.432 35 G HA2 -0.183 nan 3.960 nan 0.000 0.219 35 G HA3 -0.183 nan 3.960 nan 0.000 0.219 35 G C -0.939 173.927 174.900 -0.056 0.000 1.135 35 G CA 0.502 45.579 45.100 -0.039 0.000 0.767 35 G HN 0.048 8.294 8.290 -0.033 0.024 0.550 36 V N -1.579 118.286 119.914 -0.083 0.000 3.093 36 V HA 0.254 nan 4.120 nan 0.000 0.320 36 V C -0.657 175.360 176.094 -0.129 0.000 1.093 36 V CA -1.370 60.863 62.300 -0.112 0.000 1.016 36 V CB 1.485 33.207 31.823 -0.169 0.000 1.096 36 V HN -0.597 7.502 8.190 -0.088 0.039 0.452 37 G N 1.890 110.611 108.800 -0.131 0.000 2.154 37 G HA2 -0.366 nan 3.960 nan 0.000 0.186 37 G HA3 -0.366 nan 3.960 nan 0.000 0.186 37 G C -0.294 174.563 174.900 -0.071 0.000 1.000 37 G CA 0.775 45.806 45.100 -0.115 0.000 0.664 37 G HN 0.547 8.768 8.290 -0.115 0.000 0.513 38 I N -3.744 116.789 120.570 -0.062 0.000 2.233 38 I HA 0.002 nan 4.170 nan 0.000 0.243 38 I C 0.078 176.165 176.117 -0.049 0.000 1.093 38 I CA 1.443 62.712 61.300 -0.053 0.000 1.380 38 I CB 0.281 38.248 38.000 -0.056 0.000 1.067 38 I HN -0.409 7.762 8.210 -0.066 0.000 0.413 39 L N 2.443 123.638 121.223 -0.047 0.000 2.410 39 L HA 0.296 nan 4.340 nan 0.000 0.273 39 L C -2.549 174.329 176.870 0.012 0.000 1.152 39 L CA -2.163 52.660 54.840 -0.028 0.000 0.855 39 L CB 0.094 42.157 42.059 0.006 0.000 1.129 39 L HN -0.736 7.644 8.230 -0.043 -0.176 0.463 40 P HA 0.179 nan 4.420 nan 0.000 0.274 40 P C -0.053 177.285 177.300 0.063 0.000 1.237 40 P CA -0.460 62.659 63.100 0.032 0.000 0.793 40 P CB 0.656 32.372 31.700 0.027 0.000 0.977 41 R N 2.897 123.431 120.500 0.056 0.000 2.088 41 R HA -0.337 nan 4.340 nan 0.000 0.232 41 R C 2.163 178.523 176.300 0.100 0.000 1.136 41 R CA 3.383 59.530 56.100 0.079 0.000 0.926 41 R CB -0.959 29.381 30.300 0.065 0.000 0.837 41 R HN 0.451 8.744 8.270 0.038 0.000 0.429 42 G N -1.827 107.021 108.800 0.081 0.000 2.432 42 G HA2 -0.165 nan 3.960 nan 0.000 0.219 42 G HA3 -0.165 nan 3.960 nan 0.000 0.219 42 G C 0.036 174.990 174.900 0.090 0.000 1.135 42 G CA 0.482 45.630 45.100 0.080 0.000 0.767 42 G HN 0.218 8.546 8.290 0.064 0.000 0.550 43 T N -2.107 112.507 114.554 0.101 0.000 2.906 43 T HA -0.202 nan 4.350 nan 0.000 0.320 43 T C -0.239 174.552 174.700 0.152 0.000 1.088 43 T CA -0.372 61.800 62.100 0.121 0.000 1.120 43 T CB 0.868 69.820 68.868 0.140 0.000 1.000 43 T HN -0.880 7.380 8.240 0.094 0.037 0.550 44 L N 0.756 122.055 121.223 0.126 0.000 2.397 44 L HA 0.165 nan 4.340 nan 0.000 0.271 44 L C 0.051 177.025 176.870 0.172 0.000 1.148 44 L CA 0.004 54.915 54.840 0.118 0.000 0.825 44 L CB 0.542 42.625 42.059 0.039 0.000 1.117 44 L HN 0.057 8.350 8.230 0.106 0.000 0.456 45 F N 3.350 123.322 119.950 0.037 0.000 2.404 45 F HA 0.058 nan 4.527 nan 0.000 0.339 45 F C -1.084 174.567 175.800 -0.249 0.000 1.105 45 F CA -1.114 56.870 58.000 -0.027 0.000 1.087 45 F CB 2.334 41.391 39.000 0.094 0.000 1.143 45 F HN -0.291 8.181 8.300 0.286 0.000 0.491 46 S N 5.658 120.444 115.700 -1.524 0.000 2.437 46 S HA 0.151 nan 4.470 nan 0.000 0.305 46 S C 0.191 174.090 174.600 -1.168 0.000 1.109 46 S CA -1.190 56.405 58.200 -1.008 0.000 1.099 46 S CB 1.552 64.274 63.200 -0.796 0.000 1.004 46 S HN -0.240 6.562 8.310 -2.513 0.000 0.475 47 C N 7.065 125.930 119.300 -0.725 0.000 2.450 47 C HA 0.021 nan 4.460 nan 0.000 0.279 47 C C 0.678 175.126 174.990 -0.903 0.000 1.335 47 C CA 1.332 59.861 59.018 -0.815 0.000 1.749 47 C CB -0.328 26.889 27.740 -0.873 0.000 1.963 47 C HN 0.215 8.166 8.230 -0.465 0.000 0.501 48 F N -4.784 114.970 119.950 -0.327 0.000 2.219 48 F HA -0.072 nan 4.527 nan 0.000 0.294 48 F C -0.070 175.510 175.800 -0.367 0.000 1.086 48 F CA 1.715 59.544 58.000 -0.286 0.000 1.330 48 F CB 0.084 38.942 39.000 -0.238 0.000 1.047 48 F HN -0.928 7.081 8.300 -0.446 0.023 0.495 49 H N 0.365 119.244 119.070 -0.319 0.000 2.897 49 H HA -0.075 nan 4.556 nan 0.000 0.347 49 H C 0.652 175.799 175.328 -0.302 0.000 1.068 49 H CA 0.225 56.051 56.048 -0.371 0.000 1.426 49 H CB 2.015 31.658 29.762 -0.198 0.000 1.410 49 H HN -0.704 7.471 8.280 -0.175 0.000 0.597 50 A N 6.915 129.330 122.820 -0.674 0.000 1.877 50 A HA -0.297 nan 4.320 nan 0.000 0.216 50 A C 1.641 179.207 177.584 -0.031 0.000 1.186 50 A CA 3.572 55.419 52.037 -0.317 0.000 0.620 50 A CB -0.107 18.710 19.000 -0.304 0.000 0.822 50 A HN 0.684 8.028 8.150 -1.343 0.000 0.443 51 R N -2.623 118.012 120.500 0.225 0.000 2.096 51 R HA -0.337 nan 4.340 nan 0.000 0.235 51 R C 2.234 178.590 176.300 0.094 0.000 1.127 51 R CA 3.039 59.250 56.100 0.184 0.000 0.968 51 R CB -1.005 29.416 30.300 0.202 0.000 0.861 51 R HN -0.675 7.761 8.270 0.276 0.000 0.440 52 H N -0.151 118.937 119.070 0.029 0.000 2.423 52 H HA -0.142 nan 4.556 nan 0.000 0.297 52 H C 2.660 177.976 175.328 -0.020 0.000 1.075 52 H CA 3.676 59.658 56.048 -0.110 0.000 1.342 52 H CB 0.281 29.686 29.762 -0.595 0.000 1.395 52 H HN -0.577 7.910 8.280 0.383 0.023 0.530 53 L N -1.884 119.359 121.223 0.034 0.000 2.240 53 L HA -0.219 nan 4.340 nan 0.000 0.211 53 L C 1.577 178.439 176.870 -0.013 0.000 1.106 53 L CA 1.943 56.789 54.840 0.010 0.000 0.793 53 L CB -0.512 41.519 42.059 -0.047 0.000 0.927 53 L HN -0.341 7.790 8.230 0.007 0.103 0.446 54 A N 0.209 123.027 122.820 -0.003 0.000 1.855 54 A HA -0.335 nan 4.320 nan 0.000 0.215 54 A C 1.629 179.190 177.584 -0.040 0.000 1.191 54 A CA 3.509 55.534 52.037 -0.021 0.000 0.613 54 A CB -0.949 18.050 19.000 -0.003 0.000 0.829 54 A HN 0.330 8.366 8.150 0.015 0.123 0.442 55 E N -2.172 118.020 120.200 -0.014 0.000 2.110 55 E HA -0.373 nan 4.350 nan 0.000 0.193 55 E C 2.209 178.774 176.600 -0.058 0.000 0.988 55 E CA 2.564 58.950 56.400 -0.023 0.000 0.804 55 E CB -0.401 29.299 29.700 0.001 0.000 0.745 55 E HN -0.162 8.204 8.360 0.010 0.000 0.458 56 A N -1.463 121.320 122.820 -0.062 0.000 1.898 56 A HA -0.228 nan 4.320 nan 0.000 0.216 56 A C 1.930 179.083 177.584 -0.718 0.000 1.181 56 A CA 3.010 54.892 52.037 -0.258 0.000 0.620 56 A CB -1.052 17.869 19.000 -0.133 0.000 0.819 56 A HN -0.446 7.703 8.150 0.028 0.018 0.442 57 T N 0.430 114.684 114.554 -0.501 0.000 2.684 57 T HA -0.343 nan 4.350 nan 0.000 0.267 57 T C 1.695 176.257 174.700 -0.230 0.000 1.036 57 T CA 4.748 66.599 62.100 -0.416 0.000 1.148 57 T CB -0.501 68.285 68.868 -0.137 0.000 0.863 57 T HN -0.175 7.817 8.240 -0.274 0.083 0.436 58 E N 0.436 120.551 120.200 -0.140 0.000 2.209 58 E HA -0.258 nan 4.350 nan 0.000 0.196 58 E C 2.183 178.784 176.600 0.001 0.000 0.993 58 E CA 2.821 59.188 56.400 -0.055 0.000 0.819 58 E CB -0.505 29.166 29.700 -0.048 0.000 0.745 58 E HN -0.385 7.891 8.360 -0.140 0.000 0.477 59 L N -1.486 119.733 121.223 -0.008 0.000 2.068 59 L HA -0.278 nan 4.340 nan 0.000 0.204 59 L C 2.021 179.090 176.870 0.330 0.000 1.076 59 L CA 2.583 57.536 54.840 0.188 0.000 0.753 59 L CB -0.174 42.086 42.059 0.334 0.000 0.910 59 L HN -0.866 7.140 8.230 -0.130 0.146 0.439 60 Y N -2.180 118.266 120.300 0.244 0.000 2.014 60 Y HA -0.496 nan 4.550 nan 0.000 0.272 60 Y C 2.519 178.624 175.900 0.343 0.000 1.164 60 Y CA 1.982 60.282 58.100 0.334 0.000 1.114 60 Y CB -1.789 36.773 38.460 0.170 0.000 0.961 60 Y HN -0.281 7.985 8.280 -0.022 0.000 0.489 61 V N -5.401 114.666 119.914 0.255 0.000 2.392 61 V HA -0.459 nan 4.120 nan 0.000 0.249 61 V C 1.835 178.046 176.094 0.195 0.000 1.059 61 V CA 3.330 65.699 62.300 0.115 0.000 1.051 61 V CB -1.731 30.084 31.823 -0.014 0.000 0.658 61 V HN 0.059 8.359 8.190 0.183 0.000 0.455 62 A N 0.046 122.978 122.820 0.186 0.000 1.898 62 A HA -0.215 nan 4.320 nan 0.000 0.216 62 A C 1.696 179.395 177.584 0.191 0.000 1.181 62 A CA 3.137 55.267 52.037 0.156 0.000 0.620 62 A CB -0.653 18.420 19.000 0.121 0.000 0.819 62 A HN -0.474 7.779 8.150 0.172 0.000 0.442 63 L N -2.982 118.395 121.223 0.256 0.000 2.395 63 L HA -0.238 nan 4.340 nan 0.000 0.218 63 L C 1.532 178.580 176.870 0.298 0.000 1.130 63 L CA 2.151 57.111 54.840 0.199 0.000 0.826 63 L CB -0.498 41.614 42.059 0.088 0.000 0.941 63 L HN -0.374 7.961 8.230 0.328 0.091 0.451 64 Y N -1.751 118.661 120.300 0.187 0.000 2.286 64 Y HA -0.355 nan 4.550 nan 0.000 0.293 64 Y C 2.255 178.220 175.900 0.109 0.000 1.124 64 Y CA 2.495 60.682 58.100 0.144 0.000 1.178 64 Y CB -0.111 38.397 38.460 0.079 0.000 1.010 64 Y HN -0.029 8.559 8.280 0.693 0.107 0.536 65 G N -3.115 105.837 108.800 0.254 0.000 2.471 65 G HA2 -0.263 nan 3.960 nan 0.000 0.219 65 G HA3 -0.263 nan 3.960 nan 0.000 0.219 65 G C -0.487 174.485 174.900 0.121 0.000 1.125 65 G CA 0.036 45.226 45.100 0.151 0.000 0.775 65 G HN -0.200 8.088 8.290 0.286 0.174 0.548 66 A N 0.021 122.920 122.820 0.132 0.000 2.546 66 A HA -0.083 nan 4.320 nan 0.000 0.243 66 A C -0.230 177.417 177.584 0.106 0.000 1.063 66 A CA 0.429 52.529 52.037 0.105 0.000 0.757 66 A CB 0.685 19.746 19.000 0.102 0.000 0.991 66 A HN -0.469 7.752 8.150 0.159 0.024 0.503 67 K N 2.585 123.032 120.400 0.079 0.000 2.062 67 K HA -0.236 nan 4.320 nan 0.000 0.205 67 K C -0.567 176.079 176.600 0.077 0.000 1.051 67 K CA 2.104 58.433 56.287 0.069 0.000 0.941 67 K CB 0.388 32.917 32.500 0.048 0.000 0.719 67 K HN 0.080 8.648 8.250 0.066 -0.279 0.440 68 D N -6.455 113.998 120.400 0.088 0.000 2.636 68 D HA 0.082 nan 4.640 nan 0.000 0.275 68 D C -0.380 176.007 176.300 0.145 0.000 1.130 68 D CA -1.334 52.733 54.000 0.111 0.000 1.031 68 D CB 0.917 41.776 40.800 0.098 0.000 1.451 68 D HN -0.716 7.704 8.370 0.083 0.000 0.505 69 F N 0.163 120.141 119.950 0.046 0.000 2.134 69 F HA -0.355 nan 4.527 nan 0.000 0.299 69 F C 0.549 176.439 175.800 0.150 0.000 1.097 69 F CA 3.869 61.901 58.000 0.054 0.000 1.264 69 F CB 0.484 39.467 39.000 -0.028 0.000 1.001 69 F HN -0.154 8.380 8.300 0.274 -0.070 0.479 70 N N -2.303 116.506 118.700 0.182 0.000 2.120 70 N HA -0.324 nan 4.740 nan 0.000 0.188 70 N C 2.433 177.972 175.510 0.048 0.000 1.024 70 N CA 3.267 56.385 53.050 0.114 0.000 0.852 70 N CB -1.246 37.307 38.487 0.110 0.000 1.003 70 N HN 0.059 8.551 8.380 0.215 0.016 0.424 71 D N 0.464 120.895 120.400 0.052 0.000 2.144 71 D HA -0.229 nan 4.640 nan 0.000 0.199 71 D C 1.757 178.072 176.300 0.025 0.000 0.984 71 D CA 2.647 56.674 54.000 0.045 0.000 0.834 71 D CB -0.140 40.688 40.800 0.046 0.000 0.955 71 D HN -0.039 8.568 8.370 0.071 -0.194 0.465 72 F N 1.576 121.409 119.950 -0.196 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.689 177.294 175.800 -0.324 0.000 1.105 72 F CA 3.431 61.249 58.000 -0.302 0.000 1.239 72 F CB 0.294 38.957 39.000 -0.561 0.000 0.991 72 F HN -0.126 8.153 8.300 0.079 0.069 0.474 73 I N -2.148 118.287 120.570 -0.224 0.000 2.226 73 I HA -0.556 nan 4.170 nan 0.000 0.245 73 I C 1.949 177.960 176.117 -0.177 0.000 1.100 73 I CA 2.580 63.756 61.300 -0.206 0.000 1.374 73 I CB -1.743 36.224 38.000 -0.056 0.000 1.057 73 I HN 0.132 8.140 8.210 -0.187 0.090 0.413 74 H N 1.467 120.447 119.070 -0.149 0.000 2.293 74 H HA -0.315 nan 4.556 nan 0.000 0.300 74 H C 2.248 177.509 175.328 -0.111 0.000 1.082 74 H CA 4.528 60.518 56.048 -0.096 0.000 1.308 74 H CB 0.348 30.078 29.762 -0.053 0.000 1.375 74 H HN -0.369 7.853 8.280 0.046 0.086 0.495 75 L N -1.751 119.444 121.223 -0.047 0.000 2.083 75 L HA -0.282 nan 4.340 nan 0.000 0.209 75 L C 1.561 178.356 176.870 -0.126 0.000 1.083 75 L CA 3.167 57.969 54.840 -0.065 0.000 0.752 75 L CB -0.692 41.354 42.059 -0.021 0.000 0.899 75 L HN -0.150 8.072 8.230 -0.013 0.000 0.433 76 C N -0.875 118.236 119.300 -0.316 0.000 2.413 76 C HA -0.422 nan 4.460 nan 0.000 0.276 76 C C 2.329 177.215 174.990 -0.175 0.000 1.236 76 C CA 3.822 62.618 59.018 -0.370 0.000 1.735 76 C CB -1.932 25.385 27.740 -0.704 0.000 2.031 76 C HN -0.248 7.705 8.230 -0.442 0.013 0.474 77 E N -0.016 120.054 120.200 -0.217 0.000 2.038 77 E HA -0.425 nan 4.350 nan 0.000 0.195 77 E C 2.733 179.265 176.600 -0.113 0.000 1.000 77 E CA 3.245 59.548 56.400 -0.161 0.000 0.803 77 E CB -0.290 29.296 29.700 -0.190 0.000 0.750 77 E HN 0.177 8.182 8.360 -0.267 0.194 0.448 78 Q N -0.590 119.097 119.800 -0.188 0.000 2.030 78 Q HA -0.255 nan 4.340 nan 0.000 0.204 78 Q C 2.545 178.516 176.000 -0.048 0.000 0.986 78 Q CA 2.900 58.616 55.803 -0.145 0.000 0.843 78 Q CB 0.178 28.802 28.738 -0.191 0.000 0.904 78 Q HN -0.282 7.813 8.270 -0.292 0.000 0.420 79 A N -3.637 119.188 122.820 0.008 0.000 2.235 79 A HA -0.067 nan 4.320 nan 0.000 0.208 79 A C 0.491 178.017 177.584 -0.097 0.000 1.172 79 A CA 1.290 53.253 52.037 -0.123 0.000 0.786 79 A CB -0.561 18.258 19.000 -0.301 0.000 0.804 79 A HN -0.370 7.819 8.150 0.065 0.000 0.479 80 R N -2.359 118.302 120.500 0.267 0.000 2.334 80 R HA -0.064 nan 4.340 nan 0.000 0.220 80 R C 0.720 177.097 176.300 0.127 0.000 0.917 80 R CA 1.013 57.326 56.100 0.356 0.000 1.073 80 R CB -0.175 30.358 30.300 0.389 0.000 1.056 80 R HN -0.488 7.886 8.270 0.244 0.043 0.506 81 Q N -2.313 117.515 119.800 0.046 0.000 2.200 81 Q HA -0.162 nan 4.340 nan 0.000 0.197 81 Q C 0.796 176.791 176.000 -0.009 0.000 0.953 81 Q CA 2.201 58.016 55.803 0.019 0.000 0.851 81 Q CB 0.778 29.517 28.738 0.000 0.000 0.938 81 Q HN -0.556 7.669 8.270 0.030 0.063 0.488 82 I N -3.609 116.931 120.570 -0.050 0.000 2.296 82 I HA -0.179 nan 4.170 nan 0.000 0.242 82 I C -0.489 175.561 176.117 -0.112 0.000 1.087 82 I CA 1.497 62.752 61.300 -0.075 0.000 1.393 82 I CB 1.664 39.613 38.000 -0.084 0.000 1.093 82 I HN -0.783 7.392 8.210 -0.058 0.000 0.421 83 V N -2.093 117.689 119.914 -0.220 0.000 2.567 83 V HA 0.211 nan 4.120 nan 0.000 0.289 83 V C -0.924 175.067 176.094 -0.171 0.000 1.049 83 V CA -3.175 58.953 62.300 -0.287 0.000 0.969 83 V CB 1.312 32.789 31.823 -0.578 0.000 0.995 83 V HN -0.287 7.622 8.190 -0.263 0.123 0.471 84 N N 5.286 123.950 118.700 -0.060 0.000 2.503 84 N HA 0.037 nan 4.740 nan 0.000 0.267 84 N C 0.970 176.563 175.510 0.139 0.000 1.214 84 N CA -0.698 52.380 53.050 0.047 0.000 0.959 84 N CB 1.507 40.029 38.487 0.057 0.000 1.142 84 N HN 0.078 8.411 8.380 -0.078 0.000 0.455 85 E N 1.586 121.880 120.200 0.157 0.000 2.160 85 E HA -0.390 nan 4.350 nan 0.000 0.195 85 E C 1.700 178.449 176.600 0.248 0.000 0.991 85 E CA 3.186 59.712 56.400 0.211 0.000 0.810 85 E CB -0.703 29.116 29.700 0.197 0.000 0.742 85 E HN 0.545 8.982 8.360 0.128 0.000 0.466 86 G N -0.829 108.100 108.800 0.215 0.000 2.404 86 G HA2 -0.182 nan 3.960 nan 0.000 0.213 86 G HA3 -0.182 nan 3.960 nan 0.000 0.213 86 G C 1.140 176.129 174.900 0.147 0.000 1.189 86 G CA 1.177 46.409 45.100 0.220 0.000 0.796 86 G HN -0.033 8.541 8.290 0.187 -0.172 0.532 87 M N 1.947 121.600 119.600 0.088 0.000 2.229 87 M HA -0.262 nan 4.480 nan 0.000 0.264 87 M C 1.057 177.397 176.300 0.066 0.000 1.063 87 M CA 2.986 58.163 55.300 -0.204 0.000 1.114 87 M CB 0.236 32.842 32.600 0.010 0.000 1.387 87 M HN -0.106 8.681 8.290 0.176 -0.391 0.420 88 F N -0.477 119.475 119.950 0.004 0.000 2.234 88 F HA -0.134 nan 4.527 nan 0.000 0.296 88 F C 1.426 177.273 175.800 0.077 0.000 1.089 88 F CA 1.510 59.525 58.000 0.026 0.000 1.343 88 F CB -0.287 38.715 39.000 0.005 0.000 1.040 88 F HN 0.369 8.643 8.300 0.282 0.196 0.498 89 V N -0.161 119.885 119.914 0.220 0.000 2.546 89 V HA -0.459 nan 4.120 nan 0.000 0.254 89 V C 1.316 177.594 176.094 0.308 0.000 1.076 89 V CA 4.049 66.489 62.300 0.234 0.000 1.087 89 V CB -0.920 31.167 31.823 0.440 0.000 0.674 89 V HN 0.016 8.371 8.190 0.275 0.000 0.470 90 Y N 0.587 120.980 120.300 0.155 0.000 2.176 90 Y HA -0.338 nan 4.550 nan 0.000 0.291 90 Y C 0.902 176.933 175.900 0.218 0.000 1.122 90 Y CA 4.091 62.270 58.100 0.132 0.000 1.128 90 Y CB 0.213 38.510 38.460 -0.273 0.000 1.005 90 Y HN -0.768 7.530 8.280 0.257 0.136 0.509 91 A N -1.780 121.277 122.820 0.395 0.000 1.969 91 A HA -0.315 nan 4.320 nan 0.000 0.218 91 A C 2.228 180.000 177.584 0.313 0.000 1.169 91 A CA 2.845 55.193 52.037 0.518 0.000 0.635 91 A CB -0.608 18.700 19.000 0.513 0.000 0.810 91 A HN 0.184 8.527 8.150 0.322 0.000 0.445 92 V N -4.653 115.175 119.914 -0.143 0.000 2.244 92 V HA -0.429 nan 4.120 nan 0.000 0.244 92 V C 1.641 177.773 176.094 0.063 0.000 1.042 92 V CA 4.088 66.231 62.300 -0.262 0.000 1.006 92 V CB -1.168 30.265 31.823 -0.649 0.000 0.641 92 V HN 0.544 8.583 8.190 -0.252 0.000 0.446 93 S N 0.154 115.951 115.700 0.162 0.000 2.365 93 S HA -0.414 nan 4.470 nan 0.000 0.225 93 S C 1.801 176.503 174.600 0.169 0.000 1.039 93 S CA 4.096 62.481 58.200 0.307 0.000 1.033 93 S CB -0.113 63.309 63.200 0.370 0.000 0.887 93 S HN -0.654 7.739 8.310 0.138 0.000 0.447 94 V N -0.310 119.646 119.914 0.070 0.000 2.427 94 V HA -0.348 nan 4.120 nan 0.000 0.248 94 V C 1.630 177.827 176.094 0.171 0.000 1.051 94 V CA 3.744 66.049 62.300 0.008 0.000 1.048 94 V CB -1.055 30.564 31.823 -0.339 0.000 0.666 94 V HN -0.554 7.686 8.190 0.083 0.000 0.456 95 A N -0.396 122.533 122.820 0.182 0.000 1.855 95 A HA -0.259 nan 4.320 nan 0.000 0.215 95 A C 1.749 179.324 177.584 -0.015 0.000 1.191 95 A CA 3.414 55.528 52.037 0.128 0.000 0.613 95 A CB -0.987 18.183 19.000 0.284 0.000 0.829 95 A HN -0.419 7.738 8.150 0.194 0.109 0.442 96 V N -0.370 119.648 119.914 0.172 0.000 2.311 96 V HA -0.438 nan 4.120 nan 0.000 0.256 96 V C 1.696 177.740 176.094 -0.084 0.000 1.077 96 V CA 3.720 66.077 62.300 0.095 0.000 1.067 96 V CB -0.925 31.077 31.823 0.298 0.000 0.659 96 V HN 0.087 8.335 8.190 0.268 0.103 0.451 97 L N -3.006 118.155 121.223 -0.104 0.000 1.948 97 L HA -0.283 nan 4.340 nan 0.000 0.212 97 L C 1.383 178.115 176.870 -0.230 0.000 1.074 97 L CA 2.735 57.420 54.840 -0.258 0.000 0.753 97 L CB 0.225 41.945 42.059 -0.564 0.000 0.888 97 L HN -0.617 7.593 8.230 -0.033 0.000 0.432 98 H N -5.432 113.582 119.070 -0.094 0.000 2.544 98 H HA 0.018 nan 4.556 nan 0.000 0.269 98 H C 0.147 175.446 175.328 -0.049 0.000 0.970 98 H CA 1.367 57.434 56.048 0.031 0.000 1.219 98 H CB 0.362 30.357 29.762 0.389 0.000 1.421 98 H HN -0.477 7.722 8.280 0.019 0.092 0.555 99 R N 0.081 120.434 120.500 -0.246 0.000 2.340 99 R HA 0.065 nan 4.340 nan 0.000 0.300 99 R C 1.069 177.315 176.300 -0.090 0.000 1.069 99 R CA -1.345 54.643 56.100 -0.186 0.000 0.984 99 R CB -0.200 29.867 30.300 -0.389 0.000 1.003 99 R HN -0.927 7.104 8.270 -0.398 0.000 0.459 100 E N 5.760 125.960 120.200 0.001 0.000 2.026 100 E HA -0.476 nan 4.350 nan 0.000 0.206 100 E C 0.809 177.388 176.600 -0.034 0.000 1.028 100 E CA 3.437 59.837 56.400 -0.001 0.000 0.845 100 E CB -0.369 29.348 29.700 0.029 0.000 0.772 100 E HN 0.467 8.856 8.360 0.048 0.000 0.462 101 D N -3.701 116.690 120.400 -0.014 0.000 2.403 101 D HA -0.172 nan 4.640 nan 0.000 0.227 101 D C 1.680 177.934 176.300 -0.077 0.000 0.995 101 D CA 1.323 55.308 54.000 -0.026 0.000 0.928 101 D CB -1.010 39.805 40.800 0.024 0.000 0.887 101 D HN -0.004 8.372 8.370 0.010 0.000 0.529 102 C N -0.669 118.584 119.300 -0.077 0.000 2.413 102 C HA -0.303 nan 4.460 nan 0.000 0.277 102 C C 0.972 175.795 174.990 -0.277 0.000 1.265 102 C CA 2.148 61.055 59.018 -0.185 0.000 1.752 102 C CB -1.310 26.318 27.740 -0.186 0.000 1.998 102 C HN -0.285 7.848 8.230 -0.068 0.056 0.489 103 K N -0.146 120.139 120.400 -0.191 0.000 2.591 103 K HA -0.394 nan 4.320 nan 0.000 0.280 103 K C 0.257 176.731 176.600 -0.210 0.000 0.964 103 K CA 1.862 58.044 56.287 -0.174 0.000 1.014 103 K CB 0.244 32.675 32.500 -0.116 0.000 0.877 103 K HN -0.415 7.722 8.250 -0.144 0.027 0.502 104 G N 1.951 110.638 108.800 -0.188 0.000 2.183 104 G HA2 -0.205 nan 3.960 nan 0.000 0.168 104 G HA3 -0.205 nan 3.960 nan 0.000 0.168 104 G C -1.169 173.583 174.900 -0.247 0.000 1.008 104 G CA -0.558 44.422 45.100 -0.199 0.000 0.677 104 G HN -0.059 8.134 8.290 -0.161 0.000 0.498 105 I N 1.833 122.249 120.570 -0.257 0.000 2.468 105 I HA 0.161 nan 4.170 nan 0.000 0.285 105 I C -1.563 174.369 176.117 -0.308 0.000 1.039 105 I CA -1.945 59.188 61.300 -0.279 0.000 1.074 105 I CB 1.689 39.543 38.000 -0.243 0.000 1.228 105 I HN -0.261 7.737 8.210 -0.217 0.082 0.436 106 T N 5.714 120.027 114.554 -0.403 0.000 2.927 106 T HA 0.244 nan 4.350 nan 0.000 0.281 106 T C -1.227 173.284 174.700 -0.314 0.000 0.998 106 T CA -1.135 60.712 62.100 -0.423 0.000 1.019 106 T CB 1.473 69.967 68.868 -0.624 0.000 1.061 106 T HN 0.034 8.036 8.240 -0.397 0.000 0.518 107 V N 2.660 122.398 119.914 -0.294 0.000 2.667 107 V HA 0.344 nan 4.120 nan 0.000 0.308 107 V C -1.937 173.837 176.094 -0.534 0.000 1.048 107 V CA -3.523 58.511 62.300 -0.445 0.000 0.928 107 V CB 0.595 32.219 31.823 -0.332 0.000 1.004 107 V HN 0.444 8.501 8.190 -0.222 0.000 0.444 108 P HA 0.176 nan 4.420 nan 0.000 0.269 108 P C -2.502 174.593 177.300 -0.341 0.000 1.215 108 P CA -1.412 61.324 63.100 -0.608 0.000 0.780 108 P CB -0.092 31.213 31.700 -0.658 0.000 0.898 109 P HA 0.070 nan 4.420 nan 0.000 0.268 109 P C 0.981 178.210 177.300 -0.118 0.000 1.204 109 P CA -0.397 62.644 63.100 -0.100 0.000 0.768 109 P CB 0.570 32.221 31.700 -0.081 0.000 0.842 110 I N -0.722 119.779 120.570 -0.114 0.000 2.252 110 I HA -0.459 nan 4.170 nan 0.000 0.245 110 I C 1.324 177.363 176.117 -0.131 0.000 1.102 110 I CA 3.949 65.159 61.300 -0.150 0.000 1.385 110 I CB -0.129 37.676 38.000 -0.324 0.000 1.064 110 I HN 0.329 8.528 8.210 -0.019 0.000 0.414 111 Q N 0.710 120.154 119.800 -0.592 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.301 177.044 176.000 -0.429 0.000 0.978 111 Q CA 3.611 58.606 55.803 -1.347 0.000 0.844 111 Q CB -1.172 26.716 28.738 -1.416 0.000 0.898 111 Q HN 0.298 8.280 8.270 -0.481 0.000 0.426 112 E N -2.767 117.289 120.200 -0.240 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.816 178.380 176.600 -0.060 0.000 0.982 112 E CA 2.271 58.619 56.400 -0.087 0.000 0.809 112 E CB -0.035 29.647 29.700 -0.029 0.000 0.756 112 E HN 0.014 8.125 8.360 -0.248 0.100 0.459 113 V N -4.674 115.182 119.914 -0.097 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.656 176.464 176.094 -0.477 0.000 1.045 113 V CA 2.232 64.377 62.300 -0.258 0.000 1.024 113 V CB 0.084 31.725 31.823 -0.303 0.000 0.651 113 V HN -0.129 7.794 8.190 -0.094 0.211 0.449 114 F N -1.246 118.752 119.950 0.080 0.000 2.449 114 F HA 0.609 nan 4.527 nan 0.000 0.344 114 F C -1.121 174.827 175.800 0.246 0.000 1.180 114 F CA -3.087 54.999 58.000 0.143 0.000 1.209 114 F CB 0.438 39.519 39.000 0.136 0.000 1.440 114 F HN -0.052 8.237 8.300 0.158 0.106 0.526 115 P HA -0.221 nan 4.420 nan 0.000 0.220 115 P C 0.191 177.688 177.300 0.328 0.000 1.148 115 P CA 2.566 65.825 63.100 0.265 0.000 0.803 115 P CB -0.148 31.632 31.700 0.132 0.000 0.782 116 D N -3.562 117.015 120.400 0.295 0.000 2.178 116 D HA -0.274 nan 4.640 nan 0.000 0.202 116 D C 1.536 177.976 176.300 0.234 0.000 0.974 116 D CA 2.705 56.852 54.000 0.244 0.000 0.841 116 D CB -1.034 39.900 40.800 0.224 0.000 0.953 116 D HN 0.495 9.003 8.370 0.321 0.055 0.478 117 R N -2.205 118.437 120.500 0.237 0.000 2.115 117 R HA -0.197 nan 4.340 nan 0.000 0.226 117 R C 1.463 177.625 176.300 -0.231 0.000 1.100 117 R CA 2.159 58.260 56.100 0.002 0.000 0.980 117 R CB -0.727 29.485 30.300 -0.147 0.000 0.875 117 R HN -0.479 7.983 8.270 0.350 0.018 0.445 118 F N -2.547 117.438 119.950 0.058 0.000 2.234 118 F HA -0.075 nan 4.527 nan 0.000 0.296 118 F C -0.258 175.549 175.800 0.010 0.000 1.089 118 F CA 2.250 60.250 58.000 -0.001 0.000 1.343 118 F CB 0.747 39.723 39.000 -0.040 0.000 1.040 118 F HN -0.798 7.646 8.300 0.469 0.137 0.498 119 V N -7.533 112.511 119.914 0.217 0.000 2.919 119 V HA 0.468 nan 4.120 nan 0.000 0.316 119 V C -2.815 173.370 176.094 0.152 0.000 1.077 119 V CA -4.528 57.873 62.300 0.168 0.000 0.977 119 V CB 0.168 32.095 31.823 0.174 0.000 1.039 119 V HN -0.564 7.773 8.190 0.245 0.000 0.441 120 P HA 0.125 nan 4.420 nan 0.000 0.272 120 P C -0.733 176.651 177.300 0.139 0.000 1.230 120 P CA -0.752 62.434 63.100 0.143 0.000 0.788 120 P CB 0.797 32.568 31.700 0.119 0.000 0.949 121 A N 1.576 124.487 122.820 0.151 0.000 1.933 121 A HA -0.360 nan 4.320 nan 0.000 0.218 121 A C 1.941 179.590 177.584 0.109 0.000 1.175 121 A CA 3.405 55.521 52.037 0.132 0.000 0.628 121 A CB -0.462 18.619 19.000 0.136 0.000 0.814 121 A HN 0.174 8.431 8.150 0.179 0.000 0.444 122 E N -2.425 117.836 120.200 0.102 0.000 2.051 122 E HA -0.402 nan 4.350 nan 0.000 0.192 122 E C 2.277 178.924 176.600 0.079 0.000 0.991 122 E CA 3.326 59.774 56.400 0.081 0.000 0.799 122 E CB -0.782 28.958 29.700 0.065 0.000 0.748 122 E HN 0.269 8.685 8.360 0.111 0.010 0.449 123 T N -0.897 113.710 114.554 0.089 0.000 3.072 123 T HA -0.032 nan 4.350 nan 0.000 0.266 123 T C 2.296 177.049 174.700 0.088 0.000 1.127 123 T CA 2.676 64.829 62.100 0.088 0.000 1.107 123 T CB -0.669 68.259 68.868 0.100 0.000 0.910 123 T HN 0.289 8.587 8.240 0.096 0.000 0.513 124 I N 2.672 123.299 120.570 0.095 0.000 2.206 124 I HA -0.425 nan 4.170 nan 0.000 0.239 124 I C 1.077 177.239 176.117 0.075 0.000 1.078 124 I CA 3.525 64.880 61.300 0.092 0.000 1.367 124 I CB -0.127 37.935 38.000 0.104 0.000 1.078 124 I HN -0.936 7.165 8.210 0.101 0.170 0.413 125 N N 0.076 118.819 118.700 0.072 0.000 2.061 125 N HA -0.437 nan 4.740 nan 0.000 0.193 125 N C 2.270 177.813 175.510 0.054 0.000 1.030 125 N CA 4.013 57.099 53.050 0.059 0.000 0.856 125 N CB 0.187 38.708 38.487 0.057 0.000 1.023 125 N HN 0.195 8.623 8.380 0.079 0.000 0.424 126 R N -1.210 119.324 120.500 0.057 0.000 2.066 126 R HA -0.282 nan 4.340 nan 0.000 0.232 126 R C 1.908 178.239 176.300 0.051 0.000 1.131 126 R CA 3.223 59.355 56.100 0.053 0.000 0.955 126 R CB -0.253 30.079 30.300 0.054 0.000 0.851 126 R HN 0.187 8.495 8.270 0.063 0.000 0.432 127 A N -0.804 122.049 122.820 0.055 0.000 1.902 127 A HA -0.273 nan 4.320 nan 0.000 0.217 127 A C 2.295 179.907 177.584 0.047 0.000 1.181 127 A CA 3.078 55.145 52.037 0.051 0.000 0.623 127 A CB -0.839 18.193 19.000 0.054 0.000 0.818 127 A HN -0.423 7.763 8.150 0.060 0.000 0.443 128 N N -1.868 116.860 118.700 0.046 0.000 2.120 128 N HA -0.313 nan 4.740 nan 0.000 0.188 128 N C 2.187 177.716 175.510 0.032 0.000 1.024 128 N CA 2.817 55.889 53.050 0.037 0.000 0.852 128 N CB -0.497 38.012 38.487 0.037 0.000 1.003 128 N HN -0.035 8.376 8.380 0.051 0.000 0.424 129 K N 1.157 121.579 120.400 0.036 0.000 2.057 129 K HA -0.347 nan 4.320 nan 0.000 0.207 129 K C 2.137 178.762 176.600 0.040 0.000 1.049 129 K CA 3.476 59.783 56.287 0.033 0.000 0.931 129 K CB 0.037 32.559 32.500 0.037 0.000 0.714 129 K HN 0.313 8.385 8.250 0.041 0.203 0.440 130 E N -1.246 118.985 120.200 0.051 0.000 2.153 130 E HA -0.351 nan 4.350 nan 0.000 0.194 130 E C 2.301 178.939 176.600 0.064 0.000 0.988 130 E CA 2.803 59.244 56.400 0.068 0.000 0.811 130 E CB -0.238 29.499 29.700 0.061 0.000 0.746 130 E HN 0.255 8.455 8.360 0.049 0.190 0.466 131 A N -1.095 121.752 122.820 0.046 0.000 1.877 131 A HA -0.220 nan 4.320 nan 0.000 0.216 131 A C 1.527 179.126 177.584 0.026 0.000 1.186 131 A CA 3.189 55.249 52.037 0.038 0.000 0.620 131 A CB -0.481 18.535 19.000 0.027 0.000 0.822 131 A HN -0.118 7.970 8.150 0.042 0.088 0.443 132 S N -1.965 113.743 115.700 0.012 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.652 176.233 174.600 -0.031 0.000 1.027 132 S CA 2.086 60.280 58.200 -0.010 0.000 0.965 132 S CB 0.366 63.557 63.200 -0.015 0.000 0.812 132 S HN -0.411 7.907 8.310 0.015 0.000 0.482 133 N N 1.196 119.888 118.700 -0.013 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.172 175.535 175.510 -0.246 0.000 1.044 133 N CA 2.536 55.539 53.050 -0.078 0.000 0.851 133 N CB 0.592 39.123 38.487 0.072 0.000 1.036 133 N HN -0.039 8.121 8.380 0.025 0.234 0.422 134 H N -1.975 117.099 119.070 0.007 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.402 172.930 175.328 0.007 0.000 0.973 134 H CA -2.279 53.772 56.048 0.006 0.000 1.321 134 H CB 1.395 31.161 29.762 0.007 0.000 1.535 134 H HN -0.601 7.766 8.280 0.145 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.652 175.691 177.300 0.071 0.000 1.220 135 P CA -0.097 63.036 63.100 0.055 0.000 0.768 135 P CB 0.479 32.192 31.700 0.021 0.000 0.848 136 D N 2.890 123.326 120.400 0.059 0.000 2.751 136 D HA -0.023 nan 4.640 nan 0.000 0.236 136 D C -0.041 176.284 176.300 0.042 0.000 1.196 136 D CA -0.027 54.002 54.000 0.049 0.000 0.741 136 D CB 1.459 42.288 40.800 0.050 0.000 1.474 136 D HN -0.411 7.992 8.370 0.055 0.000 0.452 137 Q N 1.433 121.253 119.800 0.034 0.000 2.224 137 Q HA -0.200 nan 4.340 nan 0.000 0.203 137 Q C -0.054 175.962 176.000 0.025 0.000 0.970 137 Q CA 2.175 57.998 55.803 0.032 0.000 0.865 137 Q CB 0.250 29.002 28.738 0.023 0.000 0.922 137 Q HN 0.139 8.427 8.270 0.030 0.000 0.445 138 Q N -1.443 118.369 119.800 0.020 0.000 2.352 138 Q HA -0.241 nan 4.340 nan 0.000 0.326 138 Q C -0.882 175.126 176.000 0.013 0.000 1.135 138 Q CA 0.923 56.733 55.803 0.011 0.000 1.000 138 Q CB 0.465 29.206 28.738 0.005 0.000 1.237 138 Q HN -0.265 8.159 8.270 0.021 -0.141 0.409 139 S N 2.367 118.069 115.700 0.003 0.000 2.592 139 S HA 0.372 nan 4.470 nan 0.000 0.271 139 S C -0.739 173.865 174.600 0.006 0.000 1.326 139 S CA 0.201 58.402 58.200 0.001 0.000 1.024 139 S CB 0.826 64.020 63.200 -0.010 0.000 0.921 139 S HN 0.098 8.407 8.310 -0.002 0.000 0.527 140 I N 2.465 123.041 120.570 0.010 0.000 2.474 140 I HA 0.330 nan 4.170 nan 0.000 0.294 140 I C -2.100 174.023 176.117 0.010 0.000 1.005 140 I CA -0.533 60.776 61.300 0.015 0.000 1.113 140 I CB 2.420 40.437 38.000 0.027 0.000 1.289 140 I HN 0.130 8.345 8.210 0.008 0.000 0.436 141 V N 6.686 126.606 119.914 0.009 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.713 174.391 176.094 0.016 0.000 1.051 141 V CA -1.769 60.534 62.300 0.006 0.000 0.893 141 V CB 2.350 34.169 31.823 -0.007 0.000 0.999 141 V HN 0.132 8.329 8.190 0.012 0.000 0.426 142 V N 7.640 127.568 119.914 0.024 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.912 174.206 176.094 0.040 0.000 1.042 142 V CA -1.207 61.115 62.300 0.037 0.000 0.877 142 V CB 3.557 35.411 31.823 0.051 0.000 0.996 142 V HN 0.602 8.805 8.190 0.022 0.000 0.425 143 E N 6.381 126.608 120.200 0.045 0.000 2.052 143 E HA 0.178 nan 4.350 nan 0.000 0.283 143 E C 0.263 176.923 176.600 0.099 0.000 1.071 143 E CA -1.057 55.379 56.400 0.060 0.000 0.851 143 E CB 0.692 30.435 29.700 0.071 0.000 1.066 143 E HN 0.476 8.863 8.360 0.044 0.000 0.396 144 A N 8.124 131.018 122.820 0.123 0.000 2.070 144 A HA -0.191 nan 4.320 nan 0.000 0.220 144 A C 0.941 178.630 177.584 0.174 0.000 1.159 144 A CA 2.551 54.680 52.037 0.153 0.000 0.656 144 A CB -0.471 18.644 19.000 0.193 0.000 0.800 144 A HN 0.816 8.935 8.150 0.112 0.097 0.453 145 E N -2.110 118.224 120.200 0.223 0.000 2.233 145 E HA -0.241 nan 4.350 nan 0.000 0.199 145 E C 0.029 176.716 176.600 0.144 0.000 1.004 145 E CA 1.100 57.639 56.400 0.233 0.000 0.819 145 E CB 0.139 30.011 29.700 0.287 0.000 0.738 145 E HN 0.098 8.560 8.360 0.239 0.041 0.478 146 E N -3.436 116.826 120.200 0.104 0.000 6.574 146 E HA -0.289 nan 4.350 nan 0.000 0.171 146 E C -1.075 175.547 176.600 0.037 0.000 1.464 146 E CA 0.844 57.280 56.400 0.060 0.000 2.498 146 E CB -0.032 29.694 29.700 0.043 0.000 1.837 146 E HN -0.245 8.141 8.360 0.110 0.039 0.466 147 T N -0.322 114.238 114.554 0.009 0.000 3.172 147 T HA 0.587 nan 4.350 nan 0.000 0.320 147 T C -1.060 173.619 174.700 -0.035 0.000 1.085 147 T CA 0.041 62.135 62.100 -0.011 0.000 1.052 147 T CB 2.007 70.872 68.868 -0.005 0.000 1.107 147 T HN 0.482 8.725 8.240 0.004 0.000 0.458 148 G N 1.821 110.580 108.800 -0.068 0.000 2.608 148 G HA2 0.082 nan 3.960 nan 0.000 0.291 148 G HA3 0.082 nan 3.960 nan 0.000 0.291 148 G C -2.368 172.461 174.900 -0.117 0.000 1.425 148 G CA 0.089 45.136 45.100 -0.088 0.000 0.787 148 G HN -0.198 8.045 8.290 -0.078 0.000 0.484 149 N N 0.029 118.669 118.700 -0.101 0.000 2.472 149 N HA 0.077 nan 4.740 nan 0.000 0.277 149 N C 0.415 175.840 175.510 -0.142 0.000 1.081 149 N CA -0.370 52.622 53.050 -0.096 0.000 0.973 149 N CB 1.123 39.579 38.487 -0.053 0.000 1.105 149 N HN -0.008 8.323 8.380 -0.081 0.000 0.470 150 I N 5.846 126.321 120.570 -0.158 0.000 3.257 150 I HA 0.051 nan 4.170 nan 0.000 0.325 150 I C 0.013 176.073 176.117 -0.095 0.000 1.287 150 I CA -0.179 60.978 61.300 -0.239 0.000 1.263 150 I CB -0.889 36.964 38.000 -0.244 0.000 1.550 150 I HN 0.246 8.391 8.210 -0.109 0.000 0.505 151 L N 1.773 122.967 121.223 -0.049 0.000 1.989 151 L HA -0.270 nan 4.340 nan 0.000 0.211 151 L C 0.750 177.644 176.870 0.039 0.000 1.071 151 L CA 2.090 56.931 54.840 0.002 0.000 0.749 151 L CB -0.709 41.358 42.059 0.014 0.000 0.890 151 L HN -0.383 7.761 8.230 -0.065 0.047 0.431 152 D N -1.981 118.464 120.400 0.076 0.000 2.312 152 D HA 0.234 nan 4.640 nan 0.000 0.252 152 D C -0.757 175.631 176.300 0.147 0.000 1.150 152 D CA -2.614 51.455 54.000 0.114 0.000 0.870 152 D CB 0.758 41.646 40.800 0.146 0.000 1.153 152 D HN -0.462 7.952 8.370 0.074 0.000 0.457 153 P HA -0.172 nan 4.420 nan 0.000 0.223 153 P C 0.716 178.096 177.300 0.133 0.000 1.144 153 P CA 1.513 64.682 63.100 0.115 0.000 0.783 153 P CB 0.160 31.903 31.700 0.070 0.000 0.771 154 E N -0.461 119.828 120.200 0.148 0.000 2.265 154 E HA -0.281 nan 4.350 nan 0.000 0.196 154 E C 1.617 178.306 176.600 0.148 0.000 0.996 154 E CA 2.210 58.693 56.400 0.139 0.000 0.832 154 E CB -0.602 29.201 29.700 0.171 0.000 0.756 154 E HN -0.436 8.222 8.360 0.150 -0.208 0.491 155 Y N 0.756 121.117 120.300 0.101 0.000 2.256 155 Y HA -0.393 nan 4.550 nan 0.000 0.288 155 Y C 1.576 177.532 175.900 0.094 0.000 1.155 155 Y CA 3.387 61.551 58.100 0.108 0.000 1.203 155 Y CB 0.079 38.593 38.460 0.090 0.000 0.980 155 Y HN -0.039 8.279 8.280 0.320 0.154 0.530 156 K N -2.188 118.306 120.400 0.156 0.000 2.103 156 K HA -0.341 nan 4.320 nan 0.000 0.207 156 K C 2.343 178.955 176.600 0.019 0.000 1.048 156 K CA 2.313 58.678 56.287 0.130 0.000 0.930 156 K CB -0.843 31.731 32.500 0.123 0.000 0.716 156 K HN -0.254 7.964 8.250 0.204 0.154 0.444 157 L N -2.295 118.846 121.223 -0.137 0.000 2.376 157 L HA -0.165 nan 4.340 nan 0.000 0.219 157 L C 1.454 178.051 176.870 -0.455 0.000 1.133 157 L CA 1.387 56.004 54.840 -0.373 0.000 0.816 157 L CB -0.842 41.089 42.059 -0.212 0.000 0.933 157 L HN -0.444 7.614 8.230 -0.062 0.135 0.449 158 S N 0.900 116.406 115.700 -0.323 0.000 2.402 158 S HA -0.398 nan 4.470 nan 0.000 0.233 158 S C 1.768 176.264 174.600 -0.173 0.000 1.030 158 S CA 3.892 61.932 58.200 -0.265 0.000 1.003 158 S CB -0.330 62.570 63.200 -0.500 0.000 0.813 158 S HN 0.085 8.010 8.310 -0.327 0.189 0.477 159 Y N -0.559 119.726 120.300 -0.025 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.082 177.050 175.900 0.114 0.000 1.146 159 Y CA 1.696 59.830 58.100 0.056 0.000 1.164 159 Y CB -0.968 37.534 38.460 0.070 0.000 0.982 159 Y HN -0.780 7.389 8.280 -0.148 0.022 0.515 160 F N 0.283 119.853 119.950 -0.634 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.350 178.088 175.800 -0.104 0.000 1.107 160 F CA 2.839 60.693 58.000 -0.243 0.000 1.234 160 F CB 0.627 39.423 39.000 -0.340 0.000 1.002 160 F HN -0.346 7.114 8.300 -1.231 0.102 0.472 161 R N -1.621 118.955 120.500 0.127 0.000 2.075 161 R HA -0.269 nan 4.340 nan 0.000 0.232 161 R C 1.843 178.092 176.300 -0.084 0.000 1.126 161 R CA 2.810 58.972 56.100 0.103 0.000 0.963 161 R CB -0.124 30.237 30.300 0.102 0.000 0.858 161 R HN -0.217 8.092 8.270 0.065 0.000 0.435 162 E N -3.778 116.382 120.200 -0.067 0.000 2.427 162 E HA -0.023 nan 4.350 nan 0.000 0.196 162 E C -0.530 176.027 176.600 -0.071 0.000 1.028 162 E CA 0.340 56.709 56.400 -0.051 0.000 0.864 162 E CB 0.345 30.048 29.700 0.005 0.000 0.813 162 E HN -0.373 7.839 8.360 -0.056 0.115 0.514 163 D N 0.441 120.780 120.400 -0.101 0.000 2.525 163 D HA -0.151 nan 4.640 nan 0.000 0.235 163 D C 0.578 176.828 176.300 -0.084 0.000 1.137 163 D CA 0.818 54.773 54.000 -0.074 0.000 0.868 163 D CB 0.910 41.662 40.800 -0.081 0.000 1.180 163 D HN -0.910 7.207 8.370 -0.142 0.167 0.465 164 I N 6.206 126.736 120.570 -0.067 0.000 2.252 164 I HA -0.226 nan 4.170 nan 0.000 0.245 164 I C 1.053 177.223 176.117 0.087 0.000 1.102 164 I CA 2.943 64.282 61.300 0.065 0.000 1.385 164 I CB 0.501 38.407 38.000 -0.157 0.000 1.064 164 I HN 0.424 8.552 8.210 -0.137 0.000 0.414 165 G N -0.901 107.902 108.800 0.004 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.390 176.210 174.900 -0.134 0.000 1.158 165 G CA 2.245 47.335 45.100 -0.017 0.000 0.771 165 G HN -0.226 8.269 8.290 0.010 -0.199 0.545 166 I N 2.164 122.545 120.570 -0.314 0.000 2.179 166 I HA -0.460 nan 4.170 nan 0.000 0.242 166 I C 1.774 177.781 176.117 -0.184 0.000 1.088 166 I CA 2.666 63.651 61.300 -0.526 0.000 1.357 166 I CB -1.035 36.554 38.000 -0.684 0.000 1.051 166 I HN -0.359 7.944 8.210 -0.271 -0.256 0.409 167 N N -0.075 118.580 118.700 -0.075 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.198 177.828 175.510 0.199 0.000 1.024 167 N CA 3.473 56.535 53.050 0.020 0.000 0.852 167 N CB -0.365 38.061 38.487 -0.101 0.000 1.003 167 N HN -0.588 7.726 8.380 -0.110 0.000 0.424 168 A N 0.011 122.995 122.820 0.272 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.851 179.609 177.584 0.291 0.000 1.181 168 A CA 3.055 55.253 52.037 0.269 0.000 0.623 168 A CB -0.730 18.431 19.000 0.269 0.000 0.818 168 A HN -0.164 8.022 8.150 0.236 0.106 0.443 169 H N 0.172 119.393 119.070 0.251 0.000 2.321 169 H HA -0.405 nan 4.556 nan 0.000 0.300 169 H C 1.806 177.380 175.328 0.410 0.000 1.087 169 H CA 3.988 60.246 56.048 0.349 0.000 1.319 169 H CB 0.092 29.946 29.762 0.153 0.000 1.379 169 H HN -0.085 8.374 8.280 0.299 0.000 0.501 170 H N -0.413 118.807 119.070 0.249 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.548 178.108 175.328 0.387 0.000 1.090 170 H CA 3.187 59.390 56.048 0.258 0.000 1.332 170 H CB 0.349 30.240 29.762 0.215 0.000 1.386 170 H HN -0.452 8.084 8.280 0.427 0.000 0.516 171 W N 0.383 121.755 121.300 0.120 0.000 2.355 171 W HA -0.413 nan 4.660 nan 0.000 0.309 171 W C 1.602 178.129 176.519 0.013 0.000 1.206 171 W CA 4.139 61.501 57.345 0.028 0.000 1.284 171 W CB -0.329 29.059 29.460 -0.120 0.000 1.145 171 W HN -0.193 8.262 8.180 0.458 0.000 0.502 172 H N -2.476 116.804 119.070 0.350 0.000 2.353 172 H HA -0.362 nan 4.556 nan 0.000 0.300 172 H C 2.198 177.554 175.328 0.046 0.000 1.090 172 H CA 4.248 60.406 56.048 0.182 0.000 1.327 172 H CB -0.276 29.592 29.762 0.176 0.000 1.383 172 H HN -0.318 7.972 8.280 0.149 0.079 0.508 173 W N 0.326 121.586 121.300 -0.066 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.780 178.278 176.519 -0.034 0.000 1.208 173 W CA 4.911 62.197 57.345 -0.098 0.000 1.274 173 W CB -0.127 29.173 29.460 -0.267 0.000 1.138 173 W HN 0.509 8.794 8.180 0.175 0.000 0.515 174 H N -3.601 115.658 119.070 0.313 0.000 2.421 174 H HA -0.257 nan 4.556 nan 0.000 0.298 174 H C 2.137 177.444 175.328 -0.035 0.000 1.087 174 H CA 3.821 59.998 56.048 0.215 0.000 1.330 174 H CB -0.122 29.695 29.762 0.090 0.000 1.388 174 H HN -0.712 7.762 8.280 0.324 0.000 0.526 175 I N -1.654 118.888 120.570 -0.047 0.000 2.252 175 I HA -0.291 nan 4.170 nan 0.000 0.245 175 I C 1.322 177.400 176.117 -0.065 0.000 1.102 175 I CA 2.294 63.535 61.300 -0.099 0.000 1.385 175 I CB 0.100 38.014 38.000 -0.144 0.000 1.064 175 I HN -0.769 7.280 8.210 -0.071 0.118 0.414 176 V N -5.118 114.677 119.914 -0.198 0.000 2.427 176 V HA -0.194 nan 4.120 nan 0.000 0.248 176 V C 0.866 176.526 176.094 -0.724 0.000 1.051 176 V CA 2.786 64.853 62.300 -0.389 0.000 1.048 176 V CB -0.324 31.201 31.823 -0.497 0.000 0.666 176 V HN -0.496 7.523 8.190 -0.166 0.070 0.456 177 Y N -1.169 118.789 120.300 -0.570 0.000 2.842 177 Y HA 0.413 nan 4.550 nan 0.000 0.334 177 Y C -2.327 173.432 175.900 -0.236 0.000 1.019 177 Y CA -2.999 54.768 58.100 -0.555 0.000 1.258 177 Y CB -0.131 37.819 38.460 -0.851 0.000 1.106 177 Y HN -0.273 7.708 8.280 -0.500 0.000 0.545 178 P HA 0.075 nan 4.420 nan 0.000 0.278 178 P C -0.316 177.145 177.300 0.270 0.000 1.238 178 P CA -0.751 62.486 63.100 0.228 0.000 0.794 178 P CB 0.425 32.300 31.700 0.292 0.000 0.955 179 A N 3.607 126.584 122.820 0.262 0.000 1.930 179 A HA -0.211 nan 4.320 nan 0.000 0.217 179 A C 0.995 178.690 177.584 0.186 0.000 1.175 179 A CA 3.156 55.308 52.037 0.191 0.000 0.627 179 A CB -0.489 18.588 19.000 0.130 0.000 0.815 179 A HN 0.578 8.896 8.150 0.279 0.000 0.443 180 T N -6.001 108.687 114.554 0.223 0.000 3.035 180 T HA -0.215 nan 4.350 nan 0.000 0.268 180 T C 0.773 175.597 174.700 0.207 0.000 1.109 180 T CA 0.130 62.344 62.100 0.190 0.000 1.119 180 T CB -0.506 68.489 68.868 0.212 0.000 0.900 180 T HN -0.055 8.324 8.240 0.263 0.019 0.503 181 W N 3.350 124.688 121.300 0.065 0.000 2.513 181 W HA -0.387 nan 4.660 nan 0.000 0.339 181 W C -1.760 174.753 176.519 -0.010 0.000 1.257 181 W CA 1.273 58.614 57.345 -0.007 0.000 1.280 181 W CB -0.168 29.269 29.460 -0.039 0.000 1.214 181 W HN -0.750 7.478 8.180 0.411 0.198 0.567 182 N N 8.034 126.452 118.700 -0.469 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.660 173.523 175.510 -0.546 0.000 0.979 182 N CA -3.079 49.774 53.050 -0.329 0.000 0.930 182 N CB 1.989 40.332 38.487 -0.240 0.000 1.172 182 N HN -0.060 7.871 8.380 -0.747 0.000 0.499 183 P HA -0.058 nan 4.420 nan 0.000 0.221 183 P C 0.858 178.094 177.300 -0.106 0.000 1.150 183 P CA 1.754 64.801 63.100 -0.087 0.000 0.800 183 P CB 0.453 32.267 31.700 0.191 0.000 0.787 184 T N -4.953 109.544 114.554 -0.096 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.549 176.183 174.700 -0.110 0.000 1.038 184 T CA 3.034 65.093 62.100 -0.068 0.000 1.144 184 T CB -0.527 68.313 68.868 -0.047 0.000 0.866 184 T HN 0.334 8.798 8.240 -0.094 -0.280 0.434 185 V N 1.473 121.278 119.914 -0.182 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.944 177.906 176.094 -0.221 0.000 1.047 185 V CA 2.792 64.976 62.300 -0.193 0.000 1.015 185 V CB -0.240 31.436 31.823 -0.245 0.000 0.642 185 V HN -0.492 7.783 8.190 -0.201 -0.205 0.446 186 M N -2.421 116.954 119.600 -0.375 0.000 2.132 186 M HA -0.152 nan 4.480 nan 0.000 0.263 186 M C 1.440 177.677 176.300 -0.103 0.000 1.065 186 M CA 1.421 56.526 55.300 -0.324 0.000 1.122 186 M CB 0.366 32.603 32.600 -0.605 0.000 1.365 186 M HN -0.309 7.673 8.290 -0.513 0.000 0.411 187 G N -3.199 105.555 108.800 -0.077 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.635 173.309 174.900 0.073 0.000 1.058 187 G CA 0.373 45.477 45.100 0.007 0.000 0.632 187 G HN 0.132 8.138 8.290 -0.138 0.202 0.508 188 K N 0.816 121.297 120.400 0.134 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.309 175.519 176.600 0.380 0.000 0.988 188 K CA -1.299 55.125 56.287 0.228 0.000 0.915 188 K CB 1.014 33.667 32.500 0.256 0.000 1.043 188 K HN -0.289 7.926 8.250 0.105 0.097 0.457 189 E N -0.925 119.458 120.200 0.304 0.000 2.277 189 E HA 0.211 nan 4.350 nan 0.000 0.266 189 E C -0.886 175.783 176.600 0.114 0.000 0.901 189 E CA -1.973 54.628 56.400 0.335 0.000 0.782 189 E CB 2.192 32.027 29.700 0.225 0.000 1.228 189 E HN 0.044 8.527 8.360 0.206 0.000 0.424 190 K N 1.129 121.481 120.400 -0.081 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.665 175.953 176.600 0.030 0.000 1.066 190 K CA -1.501 54.670 56.287 -0.194 0.000 0.901 190 K CB 0.211 32.446 32.500 -0.442 0.000 1.089 190 K HN 0.387 8.622 8.250 -0.025 0.000 0.476 191 D N 4.148 124.597 120.400 0.081 0.000 2.425 191 D HA -0.079 nan 4.640 nan 0.000 0.247 191 D C 0.118 176.489 176.300 0.117 0.000 1.147 191 D CA 1.085 55.149 54.000 0.106 0.000 0.879 191 D CB 0.344 41.212 40.800 0.113 0.000 1.179 191 D HN 0.142 8.548 8.370 0.060 0.000 0.456 192 R N -0.280 120.268 120.500 0.080 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.656 176.971 176.300 0.026 0.000 1.053 192 R CA 0.984 57.110 56.100 0.042 0.000 0.705 192 R CB -2.267 28.027 30.300 -0.011 0.000 1.124 192 R HN 0.738 9.058 8.270 0.084 0.000 0.444 193 K N -1.559 118.878 120.400 0.061 0.000 2.097 193 K HA -0.222 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.319 176.600 0.083 0.000 1.050 193 K CA 2.779 59.073 56.287 0.011 0.000 0.938 193 K CB -0.636 31.956 32.500 0.153 0.000 0.718 193 K HN -0.359 7.944 8.250 0.088 0.000 0.442 194 G N -0.670 108.202 108.800 0.119 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.874 175.910 174.900 0.225 0.000 1.158 194 G CA 2.048 47.250 45.100 0.170 0.000 0.771 194 G HN -0.162 8.349 8.290 0.100 -0.161 0.545 195 E N 1.597 121.880 120.200 0.138 0.000 2.106 195 E HA -0.186 nan 4.350 nan 0.000 0.192 195 E C 1.891 178.598 176.600 0.178 0.000 0.984 195 E CA 2.188 58.671 56.400 0.138 0.000 0.806 195 E CB -0.249 29.473 29.700 0.037 0.000 0.750 195 E HN -0.609 7.905 8.360 0.092 -0.099 0.458 196 L N 0.020 121.301 121.223 0.096 0.000 2.083 196 L HA -0.335 nan 4.340 nan 0.000 0.209 196 L C 1.261 178.277 176.870 0.244 0.000 1.083 196 L CA 3.146 58.050 54.840 0.107 0.000 0.752 196 L CB -0.285 41.715 42.059 -0.099 0.000 0.899 196 L HN -0.040 8.138 8.230 0.038 0.075 0.433 197 F N 0.684 120.760 119.950 0.209 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.164 176.973 175.800 0.014 0.000 1.104 197 F CA 4.167 62.292 58.000 0.208 0.000 1.232 197 F CB -0.065 39.066 39.000 0.218 0.000 0.987 197 F HN 0.214 8.679 8.300 0.415 0.084 0.475 198 F N 0.266 120.118 119.950 -0.164 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.804 176.352 175.800 -0.419 0.000 1.105 198 F CA 3.730 61.364 58.000 -0.611 0.000 1.239 198 F CB -0.104 38.430 39.000 -0.776 0.000 0.991 198 F HN -0.476 7.941 8.300 0.334 0.083 0.474 199 Y N -0.116 119.839 120.300 -0.575 0.000 2.163 199 Y HA -0.530 nan 4.550 nan 0.000 0.288 199 Y C 1.515 177.058 175.900 -0.595 0.000 1.136 199 Y CA 3.804 61.540 58.100 -0.607 0.000 1.147 199 Y CB 0.108 38.461 38.460 -0.178 0.000 0.987 199 Y HN 0.081 8.335 8.280 0.083 0.077 0.509 200 M N -0.754 118.522 119.600 -0.539 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.908 177.674 176.300 -0.890 0.000 1.067 200 M CA 2.730 57.571 55.300 -0.764 0.000 1.116 200 M CB -0.414 31.595 32.600 -0.986 0.000 1.348 200 M HN 0.327 8.443 8.290 -0.290 0.000 0.407 201 H N -1.635 116.939 119.070 -0.827 0.000 2.389 201 H HA -0.264 nan 4.556 nan 0.000 0.299 201 H C 2.502 177.521 175.328 -0.514 0.000 1.081 201 H CA 4.617 60.315 56.048 -0.584 0.000 1.345 201 H CB -0.335 29.105 29.762 -0.537 0.000 1.393 201 H HN -0.498 7.348 8.280 -0.724 0.000 0.520 202 Q N -0.562 118.848 119.800 -0.651 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.393 178.079 176.000 -0.522 0.000 0.978 202 Q CA 3.329 58.770 55.803 -0.602 0.000 0.844 202 Q CB -0.349 27.823 28.738 -0.943 0.000 0.898 202 Q HN -0.196 7.444 8.270 -0.881 0.101 0.426 203 Q N -0.682 118.658 119.800 -0.766 0.000 2.124 203 Q HA -0.271 nan 4.340 nan 0.000 0.202 203 Q C 2.639 178.315 176.000 -0.540 0.000 0.977 203 Q CA 2.697 58.057 55.803 -0.737 0.000 0.850 203 Q CB -0.312 27.733 28.738 -1.155 0.000 0.901 203 Q HN 0.019 7.692 8.270 -0.995 0.000 0.429 204 M N -0.083 119.239 119.600 -0.464 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.303 178.653 176.300 0.084 0.000 1.065 204 M CA 4.388 59.611 55.300 -0.130 0.000 1.114 204 M CB -0.080 32.523 32.600 0.004 0.000 1.361 204 M HN -0.139 7.736 8.290 -0.572 0.072 0.408 205 C N -1.000 118.333 119.300 0.055 0.000 2.446 205 C HA -0.341 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.847 174.990 0.050 0.000 1.275 205 C CA 4.046 63.165 59.018 0.168 0.000 1.727 205 C CB -2.105 25.710 27.740 0.125 0.000 2.010 205 C HN -0.107 8.093 8.230 -0.050 0.000 0.486 206 A N -0.036 122.738 122.820 -0.077 0.000 1.902 206 A HA -0.338 nan 4.320 nan 0.000 0.217 206 A C 1.934 179.453 177.584 -0.108 0.000 1.181 206 A CA 3.371 55.348 52.037 -0.100 0.000 0.623 206 A CB -0.952 17.967 19.000 -0.135 0.000 0.818 206 A HN 0.573 8.466 8.150 -0.143 0.171 0.443 207 R N -1.958 118.469 120.500 -0.122 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.269 178.410 176.300 -0.265 0.000 1.127 207 R CA 3.166 59.201 56.100 -0.108 0.000 0.968 207 R CB -0.047 30.263 30.300 0.016 0.000 0.861 207 R HN 0.230 8.297 8.270 -0.147 0.116 0.440 208 Y N 1.065 121.083 120.300 -0.471 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.377 176.966 175.900 -0.517 0.000 1.146 208 Y CA 3.248 60.867 58.100 -0.802 0.000 1.164 208 Y CB -0.095 37.873 38.460 -0.820 0.000 0.982 208 Y HN -0.098 8.067 8.280 -0.055 0.082 0.515 209 D N -1.695 118.537 120.400 -0.281 0.000 2.178 209 D HA -0.339 nan 4.640 nan 0.000 0.201 209 D C 2.619 178.762 176.300 -0.263 0.000 0.980 209 D CA 3.331 57.176 54.000 -0.259 0.000 0.842 209 D CB -0.833 39.899 40.800 -0.113 0.000 0.948 209 D HN 0.192 8.434 8.370 -0.099 0.068 0.472 210 S N -1.237 114.342 115.700 -0.201 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.919 176.461 174.600 -0.096 0.000 1.014 210 S CA 3.440 61.597 58.200 -0.072 0.000 0.965 210 S CB -0.240 62.965 63.200 0.009 0.000 0.785 210 S HN -0.300 7.805 8.310 -0.193 0.089 0.495 211 E N 1.455 121.485 120.200 -0.284 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.044 176.600 -0.266 0.000 0.985 211 E CA 2.824 59.074 56.400 -0.251 0.000 0.801 211 E CB -0.453 28.954 29.700 -0.488 0.000 0.750 211 E HN -0.508 7.456 8.360 -0.440 0.132 0.452 212 R N -0.577 119.653 120.500 -0.449 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.928 176.300 -0.169 0.000 1.131 212 R CA 3.315 59.212 56.100 -0.339 0.000 0.960 212 R CB -0.134 29.942 30.300 -0.373 0.000 0.856 212 R HN -0.456 7.359 8.270 -0.633 0.076 0.436 213 L N -1.174 119.967 121.223 -0.137 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.579 176.870 -0.039 0.000 1.083 213 L CA 3.119 57.911 54.840 -0.080 0.000 0.752 213 L CB -0.575 41.438 42.059 -0.077 0.000 0.899 213 L HN -0.046 8.081 8.230 -0.172 0.000 0.433 214 S N 0.607 116.318 115.700 0.019 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.245 174.600 0.019 0.000 1.027 214 S CA 3.960 62.208 58.200 0.079 0.000 0.991 214 S CB -0.430 62.853 63.200 0.138 0.000 0.823 214 S HN -0.018 8.190 8.310 0.003 0.105 0.469 215 N N -2.084 116.610 118.700 -0.010 0.000 2.396 215 N HA -0.231 nan 4.740 nan 0.000 0.180 215 N C 0.314 175.808 175.510 -0.027 0.000 1.028 215 N CA 1.405 54.446 53.050 -0.014 0.000 0.893 215 N CB 0.301 38.770 38.487 -0.030 0.000 0.967 215 N HN -0.227 8.030 8.380 -0.031 0.104 0.440 216 G N -2.591 106.183 108.800 -0.044 0.000 2.144 216 G HA2 -0.265 nan 3.960 nan 0.000 0.218 216 G HA3 -0.265 nan 3.960 nan 0.000 0.218 216 G C -0.757 174.116 174.900 -0.045 0.000 0.988 216 G CA -0.106 44.966 45.100 -0.047 0.000 0.659 216 G HN -0.432 7.641 8.290 -0.051 0.187 0.522 217 L N -1.046 120.142 121.223 -0.057 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.603 176.229 176.870 -0.063 0.000 1.058 217 L CA -1.280 53.527 54.840 -0.055 0.000 0.803 217 L CB 1.859 43.877 42.059 -0.069 0.000 1.212 217 L HN 0.199 8.248 8.230 -0.070 0.139 0.451 218 Q N -2.372 117.403 119.800 -0.043 0.000 2.318 218 Q HA 0.134 nan 4.340 nan 0.000 0.222 218 Q C -0.594 175.378 176.000 -0.047 0.000 1.003 218 Q CA -0.795 54.985 55.803 -0.039 0.000 0.936 218 Q CB 1.100 29.827 28.738 -0.020 0.000 1.204 218 Q HN 0.043 8.296 8.270 -0.029 0.000 0.524 219 R N -0.804 119.672 120.500 -0.040 0.000 2.641 219 R HA -0.066 nan 4.340 nan 0.000 0.269 219 R C 0.097 176.407 176.300 0.016 0.000 1.074 219 R CA 0.044 56.124 56.100 -0.033 0.000 1.133 219 R CB 0.559 30.840 30.300 -0.031 0.000 1.029 219 R HN -0.288 8.127 8.270 -0.040 -0.170 0.488 220 M N 1.504 121.143 119.600 0.065 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.489 176.850 176.300 0.102 0.000 1.121 220 M CA 0.280 55.656 55.300 0.127 0.000 1.155 220 M CB 0.584 33.319 32.600 0.224 0.000 1.514 220 M HN 0.081 8.592 8.290 0.061 -0.184 0.452 221 I N 2.849 123.482 120.570 0.107 0.000 2.525 221 I HA 0.448 nan 4.170 nan 0.000 0.301 221 I C -1.783 174.412 176.117 0.129 0.000 0.992 221 I CA -3.488 57.867 61.300 0.092 0.000 1.162 221 I CB 1.820 39.861 38.000 0.069 0.000 1.332 221 I HN -0.044 8.238 8.210 0.120 0.000 0.458 222 P HA 0.084 nan 4.420 nan 0.000 0.274 222 P C -1.418 176.007 177.300 0.208 0.000 1.231 222 P CA -0.864 62.347 63.100 0.184 0.000 0.790 222 P CB 0.599 32.408 31.700 0.182 0.000 0.951 223 F N 3.955 123.944 119.950 0.066 0.000 2.541 223 F HA -0.009 nan 4.527 nan 0.000 0.351 223 F C -1.288 174.390 175.800 -0.204 0.000 1.209 223 F CA -1.424 56.534 58.000 -0.069 0.000 1.277 223 F CB -0.770 38.156 39.000 -0.124 0.000 1.632 223 F HN -0.153 8.265 8.300 0.322 0.075 0.619 224 H N 5.381 124.297 119.070 -0.256 0.000 2.363 224 H HA -0.127 nan 4.556 nan 0.000 0.301 224 H C -0.738 174.367 175.328 -0.371 0.000 1.074 224 H CA 2.812 58.820 56.048 -0.066 0.000 1.354 224 H CB 0.792 30.595 29.762 0.068 0.000 1.397 224 H HN -0.500 7.738 8.280 0.023 0.055 0.516 225 N N -2.450 115.975 118.700 -0.458 0.000 2.426 225 N HA -0.060 nan 4.740 nan 0.000 0.275 225 N C 1.157 176.209 175.510 -0.763 0.000 1.019 225 N CA -1.121 51.733 53.050 -0.327 0.000 0.941 225 N CB 0.343 38.744 38.487 -0.143 0.000 1.123 225 N HN -0.413 7.597 8.380 -0.617 0.000 0.486 226 F N 5.110 124.838 119.950 -0.369 0.000 2.234 226 F HA -0.260 nan 4.527 nan 0.000 0.299 226 F C 0.962 176.767 175.800 0.009 0.000 1.087 226 F CA 3.057 61.019 58.000 -0.062 0.000 1.340 226 F CB 0.186 39.182 39.000 -0.007 0.000 1.031 226 F HN 0.668 9.185 8.300 0.361 0.000 0.500 227 D N -3.293 117.160 120.400 0.088 0.000 2.144 227 D HA -0.185 nan 4.640 nan 0.000 0.200 227 D C 1.029 177.344 176.300 0.026 0.000 0.978 227 D CA 2.249 56.277 54.000 0.047 0.000 0.833 227 D CB 0.001 40.810 40.800 0.016 0.000 0.961 227 D HN 0.129 8.901 8.370 0.086 -0.351 0.470 228 E N -0.231 119.951 120.200 -0.031 0.000 2.413 228 E HA 0.041 nan 4.350 nan 0.000 0.263 228 E C -1.771 174.896 176.600 0.111 0.000 1.015 228 E CA -1.083 55.319 56.400 0.004 0.000 0.916 228 E CB -0.892 28.772 29.700 -0.060 0.000 0.947 228 E HN -0.828 7.420 8.360 -0.142 0.027 0.440 229 P HA 0.155 nan 4.420 nan 0.000 0.275 229 P C -1.447 175.899 177.300 0.077 0.000 1.228 229 P CA -0.171 62.950 63.100 0.035 0.000 0.786 229 P CB 0.628 32.291 31.700 -0.062 0.000 0.927 230 L N 1.238 122.496 121.223 0.058 0.000 2.399 230 L HA 0.185 nan 4.340 nan 0.000 0.265 230 L C -0.034 176.863 176.870 0.046 0.000 1.089 230 L CA -0.524 54.350 54.840 0.057 0.000 0.802 230 L CB 0.732 42.793 42.059 0.003 0.000 1.180 230 L HN -0.352 7.900 8.230 0.037 0.000 0.454 231 E N 0.648 120.889 120.200 0.067 0.000 2.366 231 E HA -0.018 nan 4.350 nan 0.000 0.266 231 E C 0.114 176.779 176.600 0.109 0.000 1.051 231 E CA 0.083 56.532 56.400 0.081 0.000 0.884 231 E CB 0.774 30.535 29.700 0.101 0.000 1.006 231 E HN 0.177 8.580 8.360 0.071 0.000 0.417 232 G N 0.360 109.235 108.800 0.125 0.000 2.476 232 G HA2 0.212 nan 3.960 nan 0.000 0.286 232 G HA3 0.212 nan 3.960 nan 0.000 0.286 232 G C -2.081 172.957 174.900 0.229 0.000 1.177 232 G CA -0.282 44.913 45.100 0.159 0.000 0.870 232 G HN -0.037 8.316 8.290 0.105 0.000 0.528 233 Y N 1.544 121.888 120.300 0.074 0.000 2.441 233 Y HA 0.090 nan 4.550 nan 0.000 0.334 233 Y C -2.280 173.654 175.900 0.057 0.000 1.061 233 Y CA -0.222 57.924 58.100 0.077 0.000 1.032 233 Y CB 3.733 42.235 38.460 0.071 0.000 1.266 233 Y HN 0.301 8.697 8.280 0.193 0.000 0.441 234 A N 7.981 130.365 122.820 -0.727 0.000 2.291 234 A HA 0.511 nan 4.320 nan 0.000 0.311 234 A C -1.734 175.373 177.584 -0.796 0.000 1.224 234 A CA -3.545 48.147 52.037 -0.575 0.000 0.821 234 A CB 0.628 19.345 19.000 -0.471 0.000 1.172 234 A HN 0.473 8.114 8.150 -0.849 0.000 0.494 235 P HA -0.111 nan 4.420 nan 0.000 0.220 235 P C -0.761 176.601 177.300 0.104 0.000 1.152 235 P CA 1.007 64.079 63.100 -0.047 0.000 0.812 235 P CB 0.363 32.147 31.700 0.140 0.000 0.792 236 H N -5.664 113.408 119.070 0.003 0.000 2.756 236 H HA -0.329 nan 4.556 nan 0.000 0.315 236 H C -1.615 173.770 175.328 0.095 0.000 1.210 236 H CA 0.335 56.410 56.048 0.045 0.000 1.150 236 H CB -1.881 27.902 29.762 0.035 0.000 1.463 236 H HN 0.295 8.387 8.280 -0.314 0.000 0.427 237 L N -2.910 118.440 121.223 0.212 0.000 2.346 237 L HA 0.579 nan 4.340 nan 0.000 0.274 237 L C -0.498 176.512 176.870 0.232 0.000 1.007 237 L CA -0.856 54.134 54.840 0.250 0.000 0.818 237 L CB 2.397 44.670 42.059 0.357 0.000 1.284 237 L HN -0.335 8.007 8.230 0.186 0.000 0.424 238 T N -1.561 113.102 114.554 0.181 0.000 2.940 238 T HA 0.589 nan 4.350 nan 0.000 0.288 238 T C -0.354 174.403 174.700 0.096 0.000 1.033 238 T CA -2.196 59.971 62.100 0.112 0.000 1.033 238 T CB 2.193 71.118 68.868 0.095 0.000 1.079 238 T HN 0.309 8.662 8.240 0.188 0.000 0.496 239 S N 1.790 117.504 115.700 0.024 0.000 2.498 239 S HA 0.426 nan 4.470 nan 0.000 0.324 239 S C 1.605 176.242 174.600 0.061 0.000 1.071 239 S CA -2.094 56.126 58.200 0.032 0.000 1.113 239 S CB 0.909 64.074 63.200 -0.058 0.000 0.976 239 S HN 0.533 8.750 8.310 0.001 0.093 0.462 240 L N 3.359 124.644 121.223 0.104 0.000 2.187 240 L HA -0.236 nan 4.340 nan 0.000 0.213 240 L C 0.666 177.589 176.870 0.088 0.000 1.100 240 L CA 2.491 57.390 54.840 0.099 0.000 0.765 240 L CB -0.794 41.336 42.059 0.119 0.000 0.904 240 L HN -0.108 8.446 8.230 0.136 -0.242 0.437 241 V N -6.653 113.323 119.914 0.103 0.000 2.392 241 V HA -0.209 nan 4.120 nan 0.000 0.249 241 V C 0.570 176.707 176.094 0.072 0.000 1.059 241 V CA 1.409 63.771 62.300 0.103 0.000 1.051 241 V CB -0.136 31.763 31.823 0.126 0.000 0.658 241 V HN -0.053 8.133 8.190 0.115 0.073 0.455 242 S N -0.647 115.086 115.700 0.054 0.000 3.144 242 S HA 0.271 nan 4.470 nan 0.000 0.325 242 S C 0.328 174.947 174.600 0.031 0.000 1.161 242 S CA -0.684 57.539 58.200 0.038 0.000 0.920 242 S CB 1.059 64.277 63.200 0.031 0.000 1.340 242 S HN -0.664 7.626 8.310 0.054 0.052 0.681 243 G N 0.072 108.886 108.800 0.022 0.000 2.683 243 G HA2 0.087 nan 3.960 nan 0.000 0.213 243 G HA3 0.087 nan 3.960 nan 0.000 0.213 243 G C 0.057 174.964 174.900 0.012 0.000 1.142 243 G CA 0.323 45.435 45.100 0.021 0.000 0.793 243 G HN 0.105 8.407 8.290 0.020 0.000 0.534 244 L N -0.030 121.192 121.223 -0.001 0.000 2.467 244 L HA 0.014 nan 4.340 nan 0.000 0.270 244 L C -1.035 175.803 176.870 -0.053 0.000 1.205 244 L CA 0.110 54.937 54.840 -0.022 0.000 0.828 244 L CB 0.752 42.795 42.059 -0.026 0.000 1.101 244 L HN -0.357 7.808 8.230 0.004 0.067 0.479 245 Q N -1.560 118.203 119.800 -0.062 0.000 2.587 245 Q HA 0.425 nan 4.340 nan 0.000 0.293 245 Q C -1.545 174.384 176.000 -0.117 0.000 1.083 245 Q CA -2.127 53.633 55.803 -0.071 0.000 0.792 245 Q CB 3.186 31.939 28.738 0.026 0.000 1.484 245 Q HN -0.147 8.098 8.270 -0.043 0.000 0.446 246 Y N -0.540 119.783 120.300 0.039 0.000 2.442 246 Y HA -0.222 nan 4.550 nan 0.000 0.330 246 Y C -0.262 175.651 175.900 0.021 0.000 1.129 246 Y CA 0.822 58.946 58.100 0.040 0.000 1.365 246 Y CB 0.390 38.881 38.460 0.052 0.000 1.233 246 Y HN -0.460 7.923 8.280 0.173 0.000 0.529 247 A N 5.455 128.369 122.820 0.156 0.000 2.425 247 A HA 0.034 nan 4.320 nan 0.000 0.249 247 A C -1.344 176.290 177.584 0.084 0.000 1.084 247 A CA -0.222 51.868 52.037 0.087 0.000 0.781 247 A CB 0.841 19.884 19.000 0.071 0.000 1.019 247 A HN -0.262 7.980 8.150 0.153 0.000 0.490 248 S N 0.850 116.563 115.700 0.022 0.000 2.645 248 S HA 0.303 nan 4.470 nan 0.000 0.266 248 S C -0.591 174.030 174.600 0.035 0.000 1.258 248 S CA -0.381 57.816 58.200 -0.004 0.000 0.990 248 S CB 1.361 64.504 63.200 -0.095 0.000 0.967 248 S HN -0.095 8.215 8.310 -0.000 0.000 0.556 249 R N 0.444 120.982 120.500 0.063 0.000 2.451 249 R HA 0.556 nan 4.340 nan 0.000 0.307 249 R C -2.255 174.123 176.300 0.130 0.000 0.965 249 R CA -3.263 52.900 56.100 0.106 0.000 0.865 249 R CB 2.107 32.489 30.300 0.137 0.000 1.174 249 R HN 0.263 8.567 8.270 0.057 0.000 0.455 250 P HA -0.102 nan 4.420 nan 0.000 0.271 250 P C -1.430 176.030 177.300 0.267 0.000 1.238 250 P CA -0.300 62.935 63.100 0.225 0.000 0.794 250 P CB 0.511 32.386 31.700 0.291 0.000 0.959 251 E N -0.784 119.507 120.200 0.151 0.000 2.360 251 E HA -0.265 nan 4.350 nan 0.000 0.269 251 E C 0.126 176.544 176.600 -0.304 0.000 1.022 251 E CA 0.197 56.600 56.400 0.005 0.000 0.887 251 E CB -0.593 29.106 29.700 -0.002 0.000 0.990 251 E HN 0.105 8.549 8.360 0.140 0.000 0.426 252 G N 4.269 112.845 108.800 -0.375 0.000 2.520 252 G HA2 -0.371 nan 3.960 nan 0.000 0.264 252 G HA3 -0.371 nan 3.960 nan 0.000 0.264 252 G C -1.780 172.500 174.900 -1.033 0.000 1.140 252 G CA 0.135 44.908 45.100 -0.545 0.000 1.012 252 G HN 0.154 8.343 8.290 -0.168 0.000 0.511 253 Y N -1.498 118.844 120.300 0.071 0.000 2.421 253 Y HA 0.089 nan 4.550 nan 0.000 0.339 253 Y C -1.108 174.808 175.900 0.028 0.000 0.996 253 Y CA -2.012 56.141 58.100 0.087 0.000 1.046 253 Y CB 2.890 41.449 38.460 0.165 0.000 1.226 253 Y HN -0.687 7.467 8.280 -0.209 0.000 0.445 254 S N 1.888 117.605 115.700 0.029 0.000 2.576 254 S HA 0.068 nan 4.470 nan 0.000 0.276 254 S C -0.659 173.780 174.600 -0.268 0.000 1.339 254 S CA -0.633 57.524 58.200 -0.072 0.000 1.039 254 S CB 0.624 63.770 63.200 -0.091 0.000 0.902 254 S HN 0.162 8.506 8.310 0.057 0.000 0.516 255 I N 5.767 126.260 120.570 -0.127 0.000 2.648 255 I HA -0.115 nan 4.170 nan 0.000 0.284 255 I C -1.794 174.203 176.117 -0.200 0.000 1.153 255 I CA -0.071 61.172 61.300 -0.095 0.000 1.426 255 I CB 0.723 38.727 38.000 0.008 0.000 1.381 255 I HN 0.203 8.406 8.210 -0.012 0.000 0.571 256 H N 6.628 125.725 119.070 0.045 0.000 2.670 256 H HA 0.255 nan 4.556 nan 0.000 0.361 256 H C -1.245 174.084 175.328 0.002 0.000 1.169 256 H CA -1.435 54.631 56.048 0.030 0.000 1.198 256 H CB 2.351 32.131 29.762 0.030 0.000 1.700 256 H HN 0.225 8.594 8.280 0.149 0.000 0.542 257 D N 0.653 121.120 120.400 0.112 0.000 2.399 257 D HA 0.182 nan 4.640 nan 0.000 0.241 257 D C -0.560 175.756 176.300 0.027 0.000 1.133 257 D CA 0.649 54.662 54.000 0.022 0.000 0.890 257 D CB 0.630 41.421 40.800 -0.014 0.000 1.201 257 D HN 0.131 8.581 8.370 0.134 0.000 0.432 258 L N 0.736 121.954 121.223 -0.009 0.000 2.304 258 L HA 0.334 nan 4.340 nan 0.000 0.268 258 L C 0.145 177.006 176.870 -0.016 0.000 1.010 258 L CA -1.365 53.477 54.840 0.003 0.000 0.813 258 L CB 2.422 44.506 42.059 0.040 0.000 1.315 258 L HN 0.645 8.847 8.230 -0.046 0.000 0.445 259 S N 0.444 116.147 115.700 0.004 0.000 2.368 259 S HA -0.256 nan 4.470 nan 0.000 0.225 259 S C 0.908 175.512 174.600 0.006 0.000 1.030 259 S CA 3.268 61.469 58.200 0.003 0.000 0.999 259 S CB 0.185 63.398 63.200 0.021 0.000 0.844 259 S HN 1.045 9.362 8.310 0.013 0.000 0.459 260 D N -1.778 118.654 120.400 0.054 0.000 2.117 260 D HA -0.045 nan 4.640 nan 0.000 0.198 260 D C -0.996 175.203 176.300 -0.169 0.000 0.982 260 D CA 1.706 55.758 54.000 0.086 0.000 0.828 260 D CB 0.548 41.600 40.800 0.421 0.000 0.967 260 D HN 0.125 8.548 8.370 0.087 -0.001 0.464 261 V N -2.807 116.936 119.914 -0.285 0.000 3.012 261 V HA 0.208 nan 4.120 nan 0.000 0.307 261 V C -2.216 173.703 176.094 -0.292 0.000 1.166 261 V CA -1.762 60.259 62.300 -0.464 0.000 0.974 261 V CB 3.990 35.221 31.823 -0.987 0.000 1.040 261 V HN -0.555 7.445 8.190 -0.154 0.097 0.428 262 D N 2.420 122.640 120.400 -0.300 0.000 2.253 262 D HA 0.317 nan 4.640 nan 0.000 0.249 262 D C 1.102 177.232 176.300 -0.282 0.000 1.049 262 D CA -0.597 53.257 54.000 -0.244 0.000 0.929 262 D CB 1.655 42.328 40.800 -0.211 0.000 1.176 262 D HN -0.113 8.058 8.370 -0.332 0.000 0.437 263 V N 1.417 121.221 119.914 -0.183 0.000 2.392 263 V HA -0.464 nan 4.120 nan 0.000 0.249 263 V C 1.818 177.717 176.094 -0.325 0.000 1.059 263 V CA 4.517 66.715 62.300 -0.170 0.000 1.051 263 V CB -0.866 30.925 31.823 -0.053 0.000 0.658 263 V HN 0.619 9.039 8.190 -0.124 -0.304 0.455 264 Q N -0.702 118.915 119.800 -0.306 0.000 2.084 264 Q HA -0.404 nan 4.340 nan 0.000 0.202 264 Q C 2.115 177.832 176.000 -0.472 0.000 0.978 264 Q CA 3.520 59.122 55.803 -0.336 0.000 0.844 264 Q CB -0.642 27.949 28.738 -0.245 0.000 0.898 264 Q HN 0.013 8.175 8.270 -0.249 -0.041 0.426 265 D N 0.965 121.013 120.400 -0.587 0.000 2.106 265 D HA -0.346 nan 4.640 nan 0.000 0.191 265 D C 2.359 177.890 176.300 -1.281 0.000 0.997 265 D CA 3.542 56.938 54.000 -1.007 0.000 0.834 265 D CB -0.435 39.678 40.800 -1.145 0.000 0.956 265 D HN -0.094 8.329 8.370 -0.484 -0.343 0.448 266 M N -1.254 117.838 119.600 -0.847 0.000 2.144 266 M HA -0.358 nan 4.480 nan 0.000 0.260 266 M C 2.471 178.530 176.300 -0.401 0.000 1.067 266 M CA 3.059 58.145 55.300 -0.356 0.000 1.095 266 M CB -0.612 31.952 32.600 -0.061 0.000 1.365 266 M HN -0.558 7.256 8.290 -0.681 0.067 0.406 267 V N -1.107 118.408 119.914 -0.664 0.000 2.427 267 V HA -0.448 nan 4.120 nan 0.000 0.248 267 V C 2.219 178.112 176.094 -0.335 0.000 1.051 267 V CA 4.192 66.141 62.300 -0.586 0.000 1.048 267 V CB -1.393 30.097 31.823 -0.555 0.000 0.666 267 V HN 0.261 7.948 8.190 -0.666 0.103 0.456 268 R N -0.397 119.863 120.500 -0.400 0.000 2.073 268 R HA -0.326 nan 4.340 nan 0.000 0.234 268 R C 2.205 178.427 176.300 -0.130 0.000 1.134 268 R CA 3.644 59.568 56.100 -0.294 0.000 0.952 268 R CB -0.211 29.845 30.300 -0.406 0.000 0.850 268 R HN 0.085 7.815 8.270 -0.544 0.214 0.433 269 W N -1.985 119.262 121.300 -0.090 0.000 2.355 269 W HA -0.224 nan 4.660 nan 0.000 0.309 269 W C 2.223 178.743 176.519 0.002 0.000 1.206 269 W CA 1.576 58.893 57.345 -0.046 0.000 1.284 269 W CB -0.899 28.576 29.460 0.024 0.000 1.145 269 W HN 0.232 8.164 8.180 -0.413 0.000 0.502 270 R N -1.514 119.135 120.500 0.249 0.000 2.103 270 R HA -0.494 nan 4.340 nan 0.000 0.242 270 R C 1.881 178.239 176.300 0.097 0.000 1.142 270 R CA 3.849 60.066 56.100 0.194 0.000 0.960 270 R CB -0.247 30.188 30.300 0.225 0.000 0.858 270 R HN -0.278 8.130 8.270 0.231 0.000 0.439 271 E N -1.877 118.356 120.200 0.054 0.000 2.076 271 E HA -0.186 nan 4.350 nan 0.000 0.190 271 E C 2.636 179.268 176.600 0.054 0.000 0.979 271 E CA 2.182 58.603 56.400 0.035 0.000 0.807 271 E CB -0.771 28.933 29.700 0.008 0.000 0.761 271 E HN -0.641 7.720 8.360 0.030 0.017 0.454 272 R N -0.321 120.221 120.500 0.071 0.000 2.119 272 R HA -0.335 nan 4.340 nan 0.000 0.246 272 R C 2.814 179.218 176.300 0.173 0.000 1.146 272 R CA 3.396 59.558 56.100 0.104 0.000 0.962 272 R CB -0.198 30.067 30.300 -0.059 0.000 0.863 272 R HN -0.483 7.820 8.270 0.055 0.000 0.442 273 I N -0.772 119.874 120.570 0.127 0.000 2.193 273 I HA -0.429 nan 4.170 nan 0.000 0.240 273 I C 1.760 177.855 176.117 -0.036 0.000 1.084 273 I CA 3.763 65.082 61.300 0.031 0.000 1.365 273 I CB -0.014 37.969 38.000 -0.029 0.000 1.064 273 I HN -0.373 7.818 8.210 0.122 0.092 0.410 274 L N -1.233 119.972 121.223 -0.031 0.000 2.083 274 L HA -0.509 nan 4.340 nan 0.000 0.209 274 L C 2.161 178.999 176.870 -0.054 0.000 1.083 274 L CA 3.212 58.018 54.840 -0.057 0.000 0.752 274 L CB -0.832 41.205 42.059 -0.037 0.000 0.899 274 L HN -0.137 8.093 8.230 -0.000 0.000 0.433 275 D N -0.722 119.665 120.400 -0.022 0.000 2.104 275 D HA -0.348 nan 4.640 nan 0.000 0.194 275 D C 1.820 178.064 176.300 -0.094 0.000 0.994 275 D CA 4.221 58.200 54.000 -0.034 0.000 0.830 275 D CB -0.163 40.647 40.800 0.017 0.000 0.959 275 D HN 0.176 8.550 8.370 0.006 0.000 0.452 276 A N -0.964 121.819 122.820 -0.062 0.000 2.019 276 A HA -0.234 nan 4.320 nan 0.000 0.219 276 A C 2.036 179.485 177.584 -0.224 0.000 1.164 276 A CA 2.887 54.838 52.037 -0.144 0.000 0.644 276 A CB -0.732 18.262 19.000 -0.011 0.000 0.805 276 A HN -0.557 7.501 8.150 0.008 0.097 0.449 277 I N -1.994 118.474 120.570 -0.170 0.000 2.090 277 I HA -0.637 nan 4.170 nan 0.000 0.236 277 I C 2.412 178.284 176.117 -0.407 0.000 1.064 277 I CA 4.189 65.380 61.300 -0.182 0.000 1.324 277 I CB -0.391 37.552 38.000 -0.095 0.000 1.044 277 I HN -0.468 7.639 8.210 -0.128 0.026 0.399 278 N N -0.310 118.211 118.700 -0.298 0.000 2.018 278 N HA -0.366 nan 4.740 nan 0.000 0.196 278 N C 2.120 177.466 175.510 -0.273 0.000 1.043 278 N CA 3.092 55.978 53.050 -0.273 0.000 0.856 278 N CB -0.074 38.340 38.487 -0.122 0.000 1.042 278 N HN -0.708 7.553 8.380 -0.198 0.000 0.423 279 M N -3.509 115.938 119.600 -0.255 0.000 2.337 279 M HA -0.354 nan 4.480 nan 0.000 0.261 279 M C -0.374 175.831 176.300 -0.158 0.000 1.067 279 M CA 3.171 58.305 55.300 -0.276 0.000 1.074 279 M CB 0.090 32.278 32.600 -0.686 0.000 1.395 279 M HN 0.219 8.359 8.290 -0.249 0.000 0.431 280 H N -8.152 110.817 119.070 -0.168 0.000 3.257 280 H HA -0.356 nan 4.556 nan 0.000 0.222 280 H C -1.438 173.950 175.328 0.100 0.000 1.143 280 H CA 1.336 57.372 56.048 -0.021 0.000 1.152 280 H CB -2.170 27.602 29.762 0.017 0.000 1.188 280 H HN -0.598 7.231 8.280 -0.464 0.173 0.315 281 Y N -7.712 112.645 120.300 0.095 0.000 2.624 281 Y HA 0.777 nan 4.550 nan 0.000 0.334 281 Y C -2.974 172.991 175.900 0.109 0.000 1.155 281 Y CA -2.127 56.035 58.100 0.103 0.000 1.046 281 Y CB 2.846 41.365 38.460 0.099 0.000 1.316 281 Y HN -0.510 7.447 8.280 -0.466 0.044 0.457 282 I N -4.545 116.238 120.570 0.354 0.000 2.846 282 I HA 0.746 nan 4.170 nan 0.000 0.307 282 I C -1.551 174.841 176.117 0.457 0.000 1.053 282 I CA -2.522 58.981 61.300 0.338 0.000 1.050 282 I CB 4.194 42.275 38.000 0.135 0.000 1.239 282 I HN 0.471 8.891 8.210 0.350 0.000 0.439 283 V N -3.589 116.637 119.914 0.521 0.000 2.427 283 V HA 0.548 nan 4.120 nan 0.000 0.286 283 V C -0.754 175.525 176.094 0.309 0.000 1.034 283 V CA -2.802 59.698 62.300 0.334 0.000 0.893 283 V CB 0.360 32.296 31.823 0.189 0.000 0.982 283 V HN 0.382 9.020 8.190 0.748 0.000 0.452 284 D N 7.298 127.811 120.400 0.189 0.000 2.433 284 D HA 0.319 nan 4.640 nan 0.000 0.255 284 D C 1.347 177.717 176.300 0.116 0.000 1.226 284 D CA -1.304 52.792 54.000 0.160 0.000 1.015 284 D CB 1.543 42.406 40.800 0.105 0.000 1.091 284 D HN 0.557 8.907 8.370 0.145 0.107 0.527 285 K N 0.608 121.069 120.400 0.101 0.000 2.097 285 K HA -0.289 nan 4.320 nan 0.000 0.206 285 K C 0.857 177.481 176.600 0.041 0.000 1.049 285 K CA 2.895 59.224 56.287 0.071 0.000 0.933 285 K CB -0.541 31.999 32.500 0.066 0.000 0.717 285 K HN 0.284 8.600 8.250 0.110 0.000 0.442 286 D N -5.398 115.026 120.400 0.040 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.171 176.136 176.300 0.011 0.000 0.968 286 D CA 0.112 54.126 54.000 0.023 0.000 0.894 286 D CB -1.079 39.734 40.800 0.023 0.000 0.909 286 D HN -0.333 8.044 8.370 0.052 0.024 0.520 287 N N -3.089 115.620 118.700 0.015 0.000 2.901 287 N HA -0.462 nan 4.740 nan 0.000 0.248 287 N C -1.354 174.153 175.510 -0.005 0.000 1.044 287 N CA 1.226 54.273 53.050 -0.005 0.000 0.847 287 N CB -1.493 36.979 38.487 -0.026 0.000 1.127 287 N HN 0.106 8.279 8.380 0.033 0.227 0.562 288 N N -0.884 117.824 118.700 0.012 0.000 2.476 288 N HA 0.133 nan 4.740 nan 0.000 0.275 288 N C -1.305 174.215 175.510 0.018 0.000 1.190 288 N CA 0.130 53.180 53.050 -0.000 0.000 0.977 288 N CB 1.719 40.210 38.487 0.007 0.000 1.200 288 N HN 0.024 8.740 8.380 0.032 -0.317 0.515 289 K N 0.407 120.794 120.400 -0.023 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.622 176.600 0.053 0.000 0.957 289 K CA -0.872 55.419 56.287 0.007 0.000 0.842 289 K CB 1.340 33.696 32.500 -0.241 0.000 1.099 289 K HN 0.021 8.242 8.250 -0.049 0.000 0.438 290 I N -0.768 119.883 120.570 0.134 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.376 173.839 176.117 0.164 0.000 1.005 290 I CA -3.529 57.835 61.300 0.107 0.000 1.113 290 I CB 2.188 40.238 38.000 0.082 0.000 1.289 290 I HN 0.569 8.901 8.210 0.203 0.000 0.436 291 P HA 0.190 nan 4.420 nan 0.000 0.275 291 P C -0.979 176.441 177.300 0.200 0.000 1.228 291 P CA -0.583 62.630 63.100 0.188 0.000 0.786 291 P CB 0.301 32.091 31.700 0.149 0.000 0.927 292 L N 3.379 124.753 121.223 0.252 0.000 2.387 292 L HA -0.039 nan 4.340 nan 0.000 0.267 292 L C -0.523 176.586 176.870 0.398 0.000 1.197 292 L CA -0.719 54.319 54.840 0.330 0.000 1.070 292 L CB -1.186 41.144 42.059 0.451 0.000 1.349 292 L HN 0.042 8.428 8.230 0.260 0.000 0.422 293 D N 4.342 124.957 120.400 0.358 0.000 2.357 293 D HA 0.000 nan 4.640 nan 0.000 0.242 293 D C 1.064 177.660 176.300 0.494 0.000 1.153 293 D CA -0.597 53.628 54.000 0.376 0.000 0.918 293 D CB 2.216 43.253 40.800 0.395 0.000 1.181 293 D HN -0.403 8.113 8.370 0.299 0.033 0.435 294 I N 2.622 123.484 120.570 0.486 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.462 177.669 176.117 0.149 0.000 1.100 294 I CA 3.494 65.086 61.300 0.488 0.000 1.374 294 I CB 0.037 38.263 38.000 0.377 0.000 1.057 294 I HN 0.147 8.591 8.210 0.391 0.000 0.413 295 E N -1.318 118.955 120.200 0.122 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.584 178.104 176.600 -0.133 0.000 0.988 295 E CA 2.582 58.939 56.400 -0.071 0.000 0.799 295 E CB -0.148 29.419 29.700 -0.223 0.000 0.755 295 E HN 0.310 8.934 8.360 0.197 -0.146 0.447 296 H N -2.101 117.028 119.070 0.099 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.854 177.231 175.328 0.081 0.000 1.033 296 H CA 1.588 57.687 56.048 0.085 0.000 1.331 296 H CB -0.284 29.533 29.762 0.092 0.000 1.414 296 H HN -0.053 8.362 8.280 0.225 0.000 0.545 297 G N -1.005 107.952 108.800 0.261 0.000 2.476 297 G HA2 -0.410 nan 3.960 nan 0.000 0.218 297 G HA3 -0.410 nan 3.960 nan 0.000 0.218 297 G C 0.722 175.573 174.900 -0.081 0.000 1.164 297 G CA 2.705 47.932 45.100 0.212 0.000 0.768 297 G HN 0.331 8.670 8.290 0.302 0.132 0.560 298 T N 3.313 117.832 114.554 -0.057 0.000 2.746 298 T HA -0.328 nan 4.350 nan 0.000 0.267 298 T C 1.749 176.441 174.700 -0.015 0.000 1.039 298 T CA 4.952 66.986 62.100 -0.111 0.000 1.142 298 T CB -0.538 68.266 68.868 -0.105 0.000 0.866 298 T HN -0.052 8.193 8.240 0.007 0.000 0.444 299 D N 1.924 122.339 120.400 0.025 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.623 177.960 176.300 0.061 0.000 0.989 299 D CA 2.934 56.973 54.000 0.064 0.000 0.827 299 D CB -0.326 40.520 40.800 0.076 0.000 0.966 299 D HN -0.448 7.918 8.370 0.028 0.021 0.456 300 I N -2.712 117.883 120.570 0.042 0.000 2.226 300 I HA -0.380 nan 4.170 nan 0.000 0.245 300 I C 1.671 177.758 176.117 -0.050 0.000 1.100 300 I CA 3.364 64.672 61.300 0.012 0.000 1.374 300 I CB -0.287 37.724 38.000 0.017 0.000 1.057 300 I HN -0.511 7.734 8.210 0.057 0.000 0.413 301 L N 0.421 121.587 121.223 -0.096 0.000 2.093 301 L HA -0.212 nan 4.340 nan 0.000 0.208 301 L C 1.870 178.749 176.870 0.016 0.000 1.085 301 L CA 2.737 57.490 54.840 -0.145 0.000 0.755 301 L CB -0.655 41.247 42.059 -0.261 0.000 0.904 301 L HN -0.105 7.973 8.230 -0.106 0.088 0.435 302 G N -2.410 106.499 108.800 0.181 0.000 2.418 302 G HA2 -0.493 nan 3.960 nan 0.000 0.217 302 G HA3 -0.493 nan 3.960 nan 0.000 0.217 302 G C 0.617 175.555 174.900 0.063 0.000 1.158 302 G CA 2.612 47.892 45.100 0.301 0.000 0.771 302 G HN 0.290 8.537 8.290 0.128 0.119 0.545 303 D N 1.237 121.651 120.400 0.023 0.000 2.144 303 D HA -0.306 nan 4.640 nan 0.000 0.200 303 D C 2.372 178.635 176.300 -0.062 0.000 0.978 303 D CA 2.835 56.824 54.000 -0.018 0.000 0.833 303 D CB -0.479 40.334 40.800 0.021 0.000 0.961 303 D HN -0.274 8.124 8.370 0.046 0.000 0.470 304 I N -0.005 120.511 120.570 -0.089 0.000 2.252 304 I HA -0.360 nan 4.170 nan 0.000 0.245 304 I C 1.736 177.780 176.117 -0.122 0.000 1.102 304 I CA 3.655 64.871 61.300 -0.141 0.000 1.385 304 I CB 0.053 37.867 38.000 -0.310 0.000 1.064 304 I HN -0.715 7.444 8.210 -0.086 0.000 0.414 305 I N -0.924 119.586 120.570 -0.101 0.000 2.252 305 I HA -0.417 nan 4.170 nan 0.000 0.245 305 I C 1.086 177.200 176.117 -0.004 0.000 1.102 305 I CA 1.711 62.989 61.300 -0.037 0.000 1.385 305 I CB -0.313 37.681 38.000 -0.010 0.000 1.064 305 I HN 0.010 8.167 8.210 -0.089 0.000 0.414 306 E N -0.494 119.593 120.200 -0.187 0.000 2.023 306 E HA -0.393 nan 4.350 nan 0.000 0.196 306 E C -0.909 175.658 176.600 -0.055 0.000 1.003 306 E CA 3.832 60.012 56.400 -0.367 0.000 0.809 306 E CB 0.114 29.378 29.700 -0.726 0.000 0.755 306 E HN -0.453 7.782 8.360 -0.209 0.000 0.449 307 S N -3.746 111.906 115.700 -0.080 0.000 2.638 307 S HA 0.427 nan 4.470 nan 0.000 0.298 307 S C -0.587 173.965 174.600 -0.080 0.000 1.111 307 S CA -1.854 56.282 58.200 -0.108 0.000 1.027 307 S CB 2.435 65.583 63.200 -0.087 0.000 1.064 307 S HN -0.714 7.552 8.310 -0.074 0.000 0.525 308 S N 0.445 116.114 115.700 -0.052 0.000 2.738 308 S HA 0.443 nan 4.470 nan 0.000 0.284 308 S C 1.200 175.818 174.600 0.030 0.000 1.146 308 S CA -0.903 57.304 58.200 0.011 0.000 0.997 308 S CB 2.207 65.439 63.200 0.052 0.000 1.081 308 S HN 0.611 8.766 8.310 -0.061 0.119 0.553 309 D N 1.618 122.058 120.400 0.066 0.000 2.219 309 D HA -0.141 nan 4.640 nan 0.000 0.205 309 D C 0.472 176.811 176.300 0.065 0.000 0.970 309 D CA 2.531 56.566 54.000 0.059 0.000 0.851 309 D CB -0.345 40.494 40.800 0.065 0.000 0.943 309 D HN 0.303 8.728 8.370 0.093 0.000 0.488 310 E N -2.697 117.554 120.200 0.084 0.000 2.338 310 E HA -0.117 nan 4.350 nan 0.000 0.197 310 E C -0.093 176.546 176.600 0.064 0.000 1.007 310 E CA 0.649 57.101 56.400 0.086 0.000 0.849 310 E CB 0.152 29.916 29.700 0.107 0.000 0.774 310 E HN -0.644 7.719 8.360 0.093 0.053 0.506 311 S N -1.333 114.394 115.700 0.045 0.000 2.573 311 S HA -0.247 nan 4.470 nan 0.000 0.297 311 S C 0.692 175.337 174.600 0.075 0.000 1.280 311 S CA 0.124 58.347 58.200 0.039 0.000 1.061 311 S CB 0.522 63.740 63.200 0.030 0.000 0.812 311 S HN -0.729 7.436 8.310 0.039 0.168 0.500 312 K N 4.005 124.456 120.400 0.085 0.000 2.148 312 K HA -0.241 nan 4.320 nan 0.000 0.204 312 K C -0.238 176.474 176.600 0.187 0.000 1.050 312 K CA 2.085 58.446 56.287 0.123 0.000 0.942 312 K CB 0.439 33.011 32.500 0.119 0.000 0.724 312 K HN -0.071 8.344 8.250 0.045 -0.139 0.446 313 N N -2.738 116.133 118.700 0.285 0.000 2.581 313 N HA 0.204 nan 4.740 nan 0.000 0.279 313 N C 0.440 176.112 175.510 0.269 0.000 1.124 313 N CA -0.880 52.351 53.050 0.303 0.000 0.833 313 N CB 1.488 40.205 38.487 0.384 0.000 1.338 313 N HN -0.765 7.791 8.380 0.300 0.005 0.533 314 V N 1.810 121.809 119.914 0.141 0.000 2.323 314 V HA -0.229 nan 4.120 nan 0.000 0.244 314 V C 1.165 177.294 176.094 0.058 0.000 1.041 314 V CA 2.947 65.291 62.300 0.073 0.000 1.025 314 V CB -0.636 31.213 31.823 0.044 0.000 0.656 314 V HN 0.531 8.795 8.190 0.124 0.000 0.451 315 E N 1.990 122.244 120.200 0.090 0.000 2.021 315 E HA -0.503 nan 4.350 nan 0.000 0.200 315 E C 1.762 178.440 176.600 0.130 0.000 1.015 315 E CA 2.794 59.258 56.400 0.108 0.000 0.824 315 E CB -0.919 28.845 29.700 0.105 0.000 0.762 315 E HN -0.275 8.143 8.360 0.096 0.000 0.454 316 Y N -0.048 120.234 120.300 -0.030 0.000 2.145 316 Y HA -0.425 nan 4.550 nan 0.000 0.286 316 Y C 1.610 177.423 175.900 -0.145 0.000 1.145 316 Y CA 2.556 60.575 58.100 -0.135 0.000 1.148 316 Y CB 0.585 38.855 38.460 -0.318 0.000 0.981 316 Y HN -0.133 8.637 8.280 0.184 -0.380 0.507 317 Y N -4.726 115.439 120.300 -0.225 0.000 2.448 317 Y HA -0.172 nan 4.550 nan 0.000 0.289 317 Y C 0.431 176.019 175.900 -0.520 0.000 1.114 317 Y CA 2.365 60.254 58.100 -0.352 0.000 1.235 317 Y CB 0.909 39.237 38.460 -0.220 0.000 1.045 317 Y HN -0.745 7.512 8.280 -0.040 0.000 0.554 318 G N -1.953 106.594 108.800 -0.422 0.000 2.568 318 G HA2 -0.262 nan 3.960 nan 0.000 0.222 318 G HA3 -0.262 nan 3.960 nan 0.000 0.222 318 G C -2.571 171.942 174.900 -0.645 0.000 1.321 318 G CA -0.471 44.045 45.100 -0.972 0.000 0.893 318 G HN -0.241 7.846 8.290 -0.170 0.101 0.569 319 S N -1.279 113.995 115.700 -0.709 0.000 2.389 319 S HA 0.354 nan 4.470 nan 0.000 0.201 319 S C -0.442 174.148 174.600 -0.017 0.000 1.422 319 S CA -1.311 56.738 58.200 -0.252 0.000 1.216 319 S CB 0.865 63.927 63.200 -0.231 0.000 1.130 319 S HN 0.049 7.616 8.310 -1.238 0.000 0.465 320 L N 5.984 127.269 121.223 0.104 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.531 177.720 176.870 0.531 0.000 1.071 320 L CA 2.827 57.937 54.840 0.451 0.000 0.745 320 L CB 0.008 42.370 42.059 0.506 0.000 0.892 320 L HN 0.346 8.584 8.230 0.013 0.000 0.431 321 H N -0.365 118.937 119.070 0.387 0.000 2.293 321 H HA -0.403 nan 4.556 nan 0.000 0.300 321 H C 2.215 177.662 175.328 0.198 0.000 1.082 321 H CA 4.399 60.739 56.048 0.487 0.000 1.308 321 H CB 0.079 30.082 29.762 0.402 0.000 1.375 321 H HN -0.242 8.298 8.280 0.433 0.000 0.495 322 N N -0.847 117.977 118.700 0.206 0.000 2.120 322 N HA -0.336 nan 4.740 nan 0.000 0.188 322 N C 2.317 177.704 175.510 -0.205 0.000 1.024 322 N CA 3.013 56.086 53.050 0.039 0.000 0.852 322 N CB -0.526 37.967 38.487 0.010 0.000 1.003 322 N HN -0.234 8.313 8.380 0.279 0.000 0.424 323 W N -0.786 120.483 121.300 -0.053 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.842 178.194 176.519 -0.278 0.000 1.218 323 W CA 2.855 60.160 57.345 -0.066 0.000 1.245 323 W CB -0.202 29.324 29.460 0.109 0.000 1.126 323 W HN -0.198 8.003 8.180 0.035 0.000 0.545 324 G N -2.007 106.556 108.800 -0.396 0.000 2.418 324 G HA2 -0.430 nan 3.960 nan 0.000 0.217 324 G HA3 -0.430 nan 3.960 nan 0.000 0.217 324 G C 0.994 175.282 174.900 -1.021 0.000 1.158 324 G CA 2.236 46.634 45.100 -1.169 0.000 0.771 324 G HN 0.194 8.256 8.290 -0.237 0.086 0.545 325 H N 2.289 120.779 119.070 -0.966 0.000 2.353 325 H HA -0.213 nan 4.556 nan 0.000 0.300 325 H C 2.552 177.657 175.328 -0.372 0.000 1.090 325 H CA 3.970 59.550 56.048 -0.779 0.000 1.327 325 H CB 0.123 29.140 29.762 -1.241 0.000 1.383 325 H HN -0.627 7.081 8.280 -0.754 0.120 0.508 326 V N 0.142 120.005 119.914 -0.085 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.117 178.235 176.094 0.039 0.000 1.049 326 V CA 4.688 67.026 62.300 0.063 0.000 1.024 326 V CB -0.750 31.213 31.823 0.232 0.000 0.648 326 V HN -0.325 7.678 8.190 -0.126 0.112 0.447 327 M N -2.287 117.312 119.600 -0.001 0.000 2.117 327 M HA -0.354 nan 4.480 nan 0.000 0.262 327 M C 1.956 178.198 176.300 -0.096 0.000 1.065 327 M CA 3.629 58.914 55.300 -0.024 0.000 1.114 327 M CB -0.054 32.511 32.600 -0.058 0.000 1.361 327 M HN 0.044 8.215 8.290 -0.020 0.106 0.408 328 M N -1.966 117.497 119.600 -0.228 0.000 2.175 328 M HA -0.202 nan 4.480 nan 0.000 0.264 328 M C 2.710 178.951 176.300 -0.098 0.000 1.063 328 M CA 2.726 57.892 55.300 -0.224 0.000 1.119 328 M CB 0.331 32.708 32.600 -0.373 0.000 1.377 328 M HN -0.370 7.720 8.290 -0.334 0.000 0.415 329 A N -1.193 121.587 122.820 -0.068 0.000 1.933 329 A HA -0.240 nan 4.320 nan 0.000 0.218 329 A C 0.671 178.270 177.584 0.024 0.000 1.175 329 A CA 2.878 54.920 52.037 0.007 0.000 0.628 329 A CB -0.291 18.733 19.000 0.040 0.000 0.814 329 A HN 0.240 8.239 8.150 -0.101 0.091 0.444 330 N N -4.193 114.514 118.700 0.011 0.000 2.538 330 N HA 0.065 nan 4.740 nan 0.000 0.291 330 N C 0.159 175.688 175.510 0.032 0.000 1.323 330 N CA -1.753 51.303 53.050 0.010 0.000 0.934 330 N CB -0.838 37.629 38.487 -0.034 0.000 1.255 330 N HN -0.447 7.935 8.380 0.005 0.000 0.509 331 I N 0.353 120.954 120.570 0.052 0.000 2.286 331 I HA -0.276 nan 4.170 nan 0.000 0.248 331 I C 0.295 176.465 176.117 0.088 0.000 1.115 331 I CA 2.193 63.557 61.300 0.107 0.000 1.392 331 I CB -0.088 37.980 38.000 0.114 0.000 1.065 331 I HN -0.751 7.393 8.210 0.035 0.086 0.418 332 T N -0.973 113.614 114.554 0.055 0.000 2.788 332 T HA -0.139 nan 4.350 nan 0.000 0.268 332 T C -0.271 174.472 174.700 0.072 0.000 1.044 332 T CA 2.117 64.234 62.100 0.028 0.000 1.139 332 T CB -0.049 68.841 68.868 0.036 0.000 0.867 332 T HN -0.032 8.208 8.240 0.057 0.034 0.454 333 D N -1.177 119.270 120.400 0.077 0.000 2.621 333 D HA 0.483 nan 4.640 nan 0.000 0.274 333 D C -0.793 175.500 176.300 -0.011 0.000 1.215 333 D CA -2.997 51.062 54.000 0.098 0.000 0.810 333 D CB 0.439 41.353 40.800 0.189 0.000 1.248 333 D HN -0.849 7.456 8.370 0.050 0.096 0.517 334 P HA -0.252 nan 4.420 nan 0.000 0.216 334 P C 0.275 177.541 177.300 -0.056 0.000 1.150 334 P CA 1.979 65.062 63.100 -0.030 0.000 0.837 334 P CB 0.339 32.037 31.700 -0.003 0.000 0.786 335 D N -4.182 116.157 120.400 -0.103 0.000 2.349 335 D HA -0.148 nan 4.640 nan 0.000 0.215 335 D C 0.081 176.351 176.300 -0.051 0.000 1.016 335 D CA -0.102 53.834 54.000 -0.108 0.000 0.870 335 D CB 0.322 41.002 40.800 -0.199 0.000 0.917 335 D HN -0.388 7.962 8.370 -0.147 -0.068 0.524 336 H N -1.341 117.638 119.070 -0.153 0.000 3.631 336 H HA -0.299 nan 4.556 nan 0.000 0.202 336 H C 0.838 176.062 175.328 -0.174 0.000 1.029 336 H CA 1.984 57.962 56.048 -0.117 0.000 1.208 336 H CB -1.116 28.610 29.762 -0.059 0.000 1.124 336 H HN -0.337 7.898 8.280 -0.041 0.021 0.329 337 R N -1.628 118.736 120.500 -0.228 0.000 2.139 337 R HA -0.250 nan 4.340 nan 0.000 0.243 337 R C 0.625 176.752 176.300 -0.288 0.000 1.145 337 R CA 2.717 58.613 56.100 -0.340 0.000 0.976 337 R CB -0.873 29.137 30.300 -0.482 0.000 0.866 337 R HN 0.117 8.112 8.270 -0.280 0.107 0.449 338 F N -1.857 118.099 119.950 0.010 0.000 2.710 338 F HA 0.066 nan 4.527 nan 0.000 0.298 338 F C -0.490 175.303 175.800 -0.011 0.000 1.137 338 F CA -0.706 57.291 58.000 -0.005 0.000 1.444 338 F CB -0.043 38.955 39.000 -0.005 0.000 1.111 338 F HN -0.637 7.787 8.300 -0.422 -0.377 0.580 339 Q N -3.219 116.642 119.800 0.102 0.000 2.455 339 Q HA -0.443 nan 4.340 nan 0.000 0.343 339 Q C -1.368 174.704 176.000 0.121 0.000 1.458 339 Q CA 0.918 56.706 55.803 -0.025 0.000 0.923 339 Q CB -1.866 26.771 28.738 -0.169 0.000 1.149 339 Q HN -0.425 7.824 8.270 0.069 0.062 0.357 340 E N -1.217 119.137 120.200 0.256 0.000 2.277 340 E HA 0.246 nan 4.350 nan 0.000 0.266 340 E C -1.321 175.384 176.600 0.176 0.000 0.901 340 E CA -1.278 55.225 56.400 0.173 0.000 0.782 340 E CB 3.032 32.819 29.700 0.145 0.000 1.228 340 E HN -0.400 8.186 8.360 0.377 0.000 0.424 341 N N 1.836 120.592 118.700 0.093 0.000 2.467 341 N HA 0.333 nan 4.740 nan 0.000 0.262 341 N C -1.694 173.853 175.510 0.062 0.000 1.234 341 N CA -1.732 51.351 53.050 0.056 0.000 0.952 341 N CB -0.431 38.037 38.487 -0.032 0.000 1.158 341 N HN 0.286 8.705 8.380 0.066 0.000 0.463 342 P HA 0.025 nan 4.420 nan 0.000 0.274 342 P C -0.778 176.650 177.300 0.213 0.000 1.256 342 P CA -0.426 62.731 63.100 0.096 0.000 0.795 342 P CB 0.877 32.617 31.700 0.067 0.000 1.038 343 G N -1.280 107.638 108.800 0.197 0.000 2.535 343 G HA2 0.201 nan 3.960 nan 0.000 0.282 343 G HA3 0.201 nan 3.960 nan 0.000 0.282 343 G C 0.549 175.583 174.900 0.224 0.000 1.350 343 G CA -1.611 43.629 45.100 0.233 0.000 1.039 343 G HN -0.270 7.990 8.290 0.128 0.107 0.509 344 V N -5.623 114.300 119.914 0.016 0.000 2.720 344 V HA -0.329 nan 4.120 nan 0.000 0.256 344 V C 1.854 177.943 176.094 -0.008 0.000 1.082 344 V CA 2.821 64.987 62.300 -0.224 0.000 1.101 344 V CB -0.414 31.284 31.823 -0.209 0.000 0.693 344 V HN 0.548 8.776 8.190 0.063 0.000 0.479 345 M N 0.512 120.162 119.600 0.084 0.000 2.279 345 M HA -0.306 nan 4.480 nan 0.000 0.264 345 M C 1.606 178.083 176.300 0.295 0.000 1.062 345 M CA 2.229 57.633 55.300 0.174 0.000 1.099 345 M CB -0.938 31.685 32.600 0.039 0.000 1.394 345 M HN -0.265 8.012 8.290 0.072 0.056 0.426 346 S N -0.612 115.221 115.700 0.222 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.743 173.997 174.600 0.233 0.000 1.006 346 S CA 3.432 61.768 58.200 0.227 0.000 0.957 346 S CB 0.166 63.454 63.200 0.147 0.000 0.773 346 S HN -0.560 7.813 8.310 0.174 0.041 0.507 347 D N -2.548 117.996 120.400 0.240 0.000 2.350 347 D HA 0.341 nan 4.640 nan 0.000 0.245 347 D C -0.386 176.087 176.300 0.288 0.000 1.036 347 D CA -1.125 53.016 54.000 0.234 0.000 0.848 347 D CB 2.940 43.888 40.800 0.246 0.000 1.307 347 D HN -0.652 7.702 8.370 0.206 0.139 0.469 348 T N 4.044 118.767 114.554 0.281 0.000 2.915 348 T HA -0.080 nan 4.350 nan 0.000 0.269 348 T C 2.195 177.225 174.700 0.549 0.000 1.071 348 T CA 3.659 66.002 62.100 0.404 0.000 1.132 348 T CB -0.227 68.655 68.868 0.023 0.000 0.878 348 T HN 0.362 8.754 8.240 0.253 0.000 0.479 349 S N 1.489 117.468 115.700 0.465 0.000 2.371 349 S HA -0.177 nan 4.470 nan 0.000 0.224 349 S C 0.972 175.550 174.600 -0.037 0.000 1.029 349 S CA 3.582 61.914 58.200 0.220 0.000 0.978 349 S CB 0.025 63.237 63.200 0.020 0.000 0.833 349 S HN -0.257 8.643 8.310 0.533 -0.269 0.466 350 T N -5.157 109.357 114.554 -0.066 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.391 177.005 174.700 -0.143 0.000 1.078 350 T CA 1.332 63.311 62.100 -0.201 0.000 1.132 350 T CB -0.071 68.563 68.868 -0.391 0.000 0.900 350 T HN -0.143 8.110 8.240 0.022 0.000 0.480 351 S N 4.307 120.002 115.700 -0.008 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.077 176.538 174.600 -0.230 0.000 1.025 351 S CA 3.598 61.826 58.200 0.047 0.000 0.993 351 S CB -1.142 62.304 63.200 0.410 0.000 0.808 351 S HN 0.157 8.532 8.310 0.109 0.000 0.478 352 L N 1.687 122.602 121.223 -0.514 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.686 178.311 176.870 -0.408 0.000 1.105 352 L CA 2.152 56.514 54.840 -0.796 0.000 0.775 352 L CB -0.763 40.910 42.059 -0.642 0.000 0.913 352 L HN -0.326 7.645 8.230 -0.378 0.032 0.440 353 R N -2.834 117.496 120.500 -0.283 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.021 176.052 176.300 -0.449 0.000 1.119 353 R CA 2.175 58.132 56.100 -0.239 0.000 0.970 353 R CB -0.335 29.887 30.300 -0.130 0.000 0.864 353 R HN -0.119 7.953 8.270 -0.265 0.039 0.440 354 D N 0.715 120.840 120.400 -0.457 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.782 175.356 176.300 -0.269 0.000 1.137 354 D CA -2.633 51.019 54.000 -0.580 0.000 0.879 354 D CB 0.794 41.451 40.800 -0.239 0.000 1.181 354 D HN -0.761 7.398 8.370 -0.302 0.029 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.740 178.107 177.300 0.111 0.000 1.151 355 P CA 1.545 64.683 63.100 0.062 0.000 0.787 355 P CB 0.029 31.773 31.700 0.073 0.000 0.788 356 I N -5.129 115.450 120.570 0.015 0.000 2.454 356 I HA -0.411 nan 4.170 nan 0.000 0.254 356 I C 1.009 177.115 176.117 -0.018 0.000 1.156 356 I CA 2.933 64.227 61.300 -0.010 0.000 1.433 356 I CB -0.550 37.397 38.000 -0.088 0.000 1.082 356 I HN -0.575 7.872 8.210 -0.034 -0.258 0.432 357 F N 1.996 121.801 119.950 -0.242 0.000 2.091 357 F HA -0.489 nan 4.527 nan 0.000 0.299 357 F C 1.136 176.798 175.800 -0.231 0.000 1.103 357 F CA 4.545 62.365 58.000 -0.300 0.000 1.228 357 F CB -0.041 38.579 39.000 -0.633 0.000 0.984 357 F HN -0.510 7.650 8.300 0.011 0.147 0.477 358 Y N -3.195 117.221 120.300 0.193 0.000 2.200 358 Y HA -0.426 nan 4.550 nan 0.000 0.290 358 Y C 2.090 178.029 175.900 0.066 0.000 1.137 358 Y CA 4.024 62.159 58.100 0.057 0.000 1.163 358 Y CB -0.672 37.595 38.460 -0.320 0.000 0.988 358 Y HN -0.762 7.446 8.280 -0.089 0.018 0.518 359 R N -0.391 120.225 120.500 0.194 0.000 2.073 359 R HA -0.420 nan 4.340 nan 0.000 0.234 359 R C 2.248 178.650 176.300 0.170 0.000 1.134 359 R CA 3.534 59.748 56.100 0.190 0.000 0.952 359 R CB -0.160 30.255 30.300 0.192 0.000 0.850 359 R HN -0.626 7.667 8.270 0.178 0.084 0.433 360 W N -0.038 121.188 121.300 -0.123 0.000 2.381 360 W HA -0.330 nan 4.660 nan 0.000 0.301 360 W C 1.703 178.124 176.519 -0.163 0.000 1.205 360 W CA 3.721 60.924 57.345 -0.237 0.000 1.285 360 W CB 0.071 29.177 29.460 -0.590 0.000 1.133 360 W HN 0.076 8.320 8.180 0.105 0.000 0.521 361 H N -0.964 117.966 119.070 -0.232 0.000 2.423 361 H HA -0.282 nan 4.556 nan 0.000 0.297 361 H C 2.872 178.139 175.328 -0.101 0.000 1.075 361 H CA 5.083 61.003 56.048 -0.214 0.000 1.342 361 H CB -0.092 29.527 29.762 -0.239 0.000 1.395 361 H HN -0.112 8.175 8.280 0.011 0.000 0.530 362 R N -0.701 119.843 120.500 0.074 0.000 2.092 362 R HA -0.289 nan 4.340 nan 0.000 0.231 362 R C 2.052 178.357 176.300 0.008 0.000 1.119 362 R CA 2.482 58.628 56.100 0.075 0.000 0.970 362 R CB -0.849 29.520 30.300 0.116 0.000 0.864 362 R HN 0.331 8.566 8.270 0.116 0.105 0.440 363 F N 1.508 121.330 119.950 -0.214 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.675 177.278 175.800 -0.329 0.000 1.105 363 F CA 3.533 61.350 58.000 -0.305 0.000 1.239 363 F CB 0.101 38.764 39.000 -0.561 0.000 0.991 363 F HN -0.599 7.639 8.300 0.036 0.084 0.474 364 I N -4.979 115.336 120.570 -0.425 0.000 2.315 364 I HA -0.549 nan 4.170 nan 0.000 0.248 364 I C 1.497 177.664 176.117 0.084 0.000 1.117 364 I CA 3.347 64.495 61.300 -0.255 0.000 1.404 364 I CB -0.634 37.349 38.000 -0.030 0.000 1.071 364 I HN -0.112 7.790 8.210 -0.513 0.000 0.419 365 D N 0.400 120.906 120.400 0.176 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.176 178.645 176.300 0.282 0.000 0.990 365 D CA 3.201 57.435 54.000 0.391 0.000 0.839 365 D CB -0.326 40.579 40.800 0.175 0.000 0.948 365 D HN 0.163 8.348 8.370 0.038 0.208 0.460 366 N N -0.989 117.705 118.700 -0.009 0.000 2.149 366 N HA -0.269 nan 4.740 nan 0.000 0.188 366 N C 2.413 177.839 175.510 -0.140 0.000 1.019 366 N CA 3.068 56.066 53.050 -0.087 0.000 0.857 366 N CB -0.154 38.202 38.487 -0.218 0.000 0.997 366 N HN -0.112 8.098 8.380 -0.097 0.112 0.426 367 I N -0.265 120.121 120.570 -0.306 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.634 177.550 176.117 -0.336 0.000 1.100 367 I CA 3.709 64.767 61.300 -0.403 0.000 1.374 367 I CB -0.166 37.468 38.000 -0.610 0.000 1.057 367 I HN -0.432 7.418 8.210 -0.347 0.152 0.413 368 F N -1.701 118.210 119.950 -0.064 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.324 178.078 175.800 -0.076 0.000 1.090 368 F CA 4.053 61.967 58.000 -0.143 0.000 1.293 368 F CB -0.778 38.027 39.000 -0.326 0.000 1.013 368 F HN -0.833 7.335 8.300 -0.092 0.077 0.486 369 Q N -1.902 118.004 119.800 0.176 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.799 176.000 0.074 0.000 0.977 369 Q CA 3.024 58.904 55.803 0.130 0.000 0.850 369 Q CB -0.880 27.925 28.738 0.112 0.000 0.901 369 Q HN 0.171 8.473 8.270 0.218 0.099 0.429 370 E N -0.570 119.644 120.200 0.024 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.367 178.987 176.600 0.032 0.000 0.988 370 E CA 2.832 59.232 56.400 -0.001 0.000 0.804 370 E CB -0.232 29.440 29.700 -0.047 0.000 0.745 370 E HN -0.145 8.124 8.360 -0.009 0.085 0.458 371 H N 0.538 119.596 119.070 -0.019 0.000 2.353 371 H HA -0.256 nan 4.556 nan 0.000 0.300 371 H C 2.357 177.843 175.328 0.264 0.000 1.090 371 H CA 3.755 59.844 56.048 0.068 0.000 1.327 371 H CB 0.152 29.948 29.762 0.056 0.000 1.383 371 H HN -0.699 7.582 8.280 0.115 0.069 0.508 372 K N -1.793 118.742 120.400 0.225 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.985 179.700 176.600 0.191 0.000 1.049 372 K CA 2.368 58.773 56.287 0.196 0.000 0.936 372 K CB -0.739 31.820 32.500 0.098 0.000 0.722 372 K HN -0.093 8.188 8.250 0.198 0.088 0.446 373 K N -0.503 119.946 120.400 0.081 0.000 2.097 373 K HA -0.236 nan 4.320 nan 0.000 0.206 373 K C 1.578 178.145 176.600 -0.055 0.000 1.049 373 K CA 2.713 59.005 56.287 0.010 0.000 0.933 373 K CB -0.323 32.168 32.500 -0.015 0.000 0.717 373 K HN 0.084 8.251 8.250 0.074 0.128 0.442 374 S N -1.506 114.125 115.700 -0.116 0.000 2.447 374 S HA -0.198 nan 4.470 nan 0.000 0.233 374 S C 0.394 174.733 174.600 -0.435 0.000 1.006 374 S CA 2.259 60.291 58.200 -0.280 0.000 0.957 374 S CB 0.712 63.684 63.200 -0.381 0.000 0.773 374 S HN -0.523 7.623 8.310 -0.086 0.112 0.507 375 F N 1.209 121.033 119.950 -0.211 0.000 2.382 375 F HA 0.013 nan 4.527 nan 0.000 0.331 375 F C 0.170 175.837 175.800 -0.221 0.000 1.121 375 F CA 1.080 58.977 58.000 -0.171 0.000 1.183 375 F CB 1.015 39.937 39.000 -0.129 0.000 1.207 375 F HN -0.697 7.535 8.300 0.186 0.179 0.555 376 H N 1.695 120.789 119.070 0.039 0.000 2.607 376 H HA 0.161 nan 4.556 nan 0.000 0.367 376 H C -1.621 173.641 175.328 -0.110 0.000 1.181 376 H CA -0.601 55.429 56.048 -0.030 0.000 1.402 376 H CB 0.288 30.033 29.762 -0.028 0.000 1.474 376 H HN 0.066 8.505 8.280 0.265 0.000 0.596 377 P HA 0.063 nan 4.420 nan 0.000 0.277 377 P C -1.433 175.799 177.300 -0.113 0.000 1.276 377 P CA -0.256 62.797 63.100 -0.079 0.000 0.788 377 P CB 0.647 32.374 31.700 0.045 0.000 1.114 378 Y N -0.762 119.640 120.300 0.170 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.436 176.403 175.900 0.112 0.000 1.055 378 Y CA 0.255 58.454 58.100 0.165 0.000 1.143 378 Y CB 0.947 39.537 38.460 0.218 0.000 1.193 378 Y HN 0.235 8.618 8.280 0.171 0.000 0.477 379 T N 4.884 119.586 114.554 0.246 0.000 2.816 379 T HA 0.235 nan 4.350 nan 0.000 0.282 379 T C 0.550 175.305 174.700 0.092 0.000 0.993 379 T CA -0.745 61.430 62.100 0.125 0.000 0.994 379 T CB 1.321 70.244 68.868 0.093 0.000 1.025 379 T HN 0.250 8.656 8.240 0.277 0.000 0.529 380 K N 1.191 121.603 120.400 0.021 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.281 178.892 176.600 0.019 0.000 1.049 380 K CA 3.158 59.434 56.287 -0.019 0.000 0.936 380 K CB 0.006 32.484 32.500 -0.036 0.000 0.722 380 K HN 0.306 8.564 8.250 0.013 0.000 0.446 381 E N -1.571 118.652 120.200 0.039 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.129 177.773 176.600 0.073 0.000 0.997 381 E CA 2.848 59.275 56.400 0.045 0.000 0.801 381 E CB -0.627 29.100 29.700 0.045 0.000 0.746 381 E HN 0.096 8.467 8.360 0.037 0.011 0.450 382 E N -2.110 118.160 120.200 0.117 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.743 178.426 176.600 0.139 0.000 0.985 382 E CA 2.188 58.671 56.400 0.139 0.000 0.801 382 E CB -0.153 29.707 29.700 0.266 0.000 0.750 382 E HN -0.623 7.726 8.360 0.135 0.091 0.452 383 L N -3.111 118.198 121.223 0.143 0.000 2.044 383 L HA -0.195 nan 4.340 nan 0.000 0.205 383 L C 0.808 177.753 176.870 0.126 0.000 1.075 383 L CA 2.008 56.935 54.840 0.146 0.000 0.747 383 L CB 0.337 42.398 42.059 0.004 0.000 0.903 383 L HN -0.671 7.633 8.230 0.124 0.000 0.435 384 S N -3.086 112.660 115.700 0.077 0.000 2.576 384 S HA -0.046 nan 4.470 nan 0.000 0.276 384 S C -0.875 173.817 174.600 0.154 0.000 1.339 384 S CA 0.844 59.092 58.200 0.080 0.000 1.039 384 S CB 0.694 63.905 63.200 0.018 0.000 0.902 384 S HN -0.216 8.027 8.310 0.058 0.102 0.516 385 F N 5.467 125.421 119.950 0.006 0.000 2.434 385 F HA 0.376 nan 4.527 nan 0.000 0.355 385 F C -2.710 173.091 175.800 0.001 0.000 1.115 385 F CA -3.406 54.599 58.000 0.009 0.000 1.010 385 F CB 2.877 41.885 39.000 0.013 0.000 1.234 385 F HN -0.444 8.170 8.300 0.214 -0.186 0.439 386 P HA 0.059 nan 4.420 nan 0.000 0.275 386 P C -0.588 176.467 177.300 -0.407 0.000 1.228 386 P CA -0.047 62.850 63.100 -0.338 0.000 0.786 386 P CB 0.470 32.022 31.700 -0.246 0.000 0.927 387 G N 0.525 109.213 108.800 -0.186 0.000 2.253 387 G HA2 -0.306 nan 3.960 nan 0.000 0.251 387 G HA3 -0.306 nan 3.960 nan 0.000 0.251 387 G C -1.202 173.677 174.900 -0.036 0.000 0.998 387 G CA 0.548 45.576 45.100 -0.120 0.000 0.621 387 G HN 0.091 8.304 8.290 -0.128 0.000 0.524 388 V N 1.487 121.412 119.914 0.017 0.000 2.435 388 V HA 0.403 nan 4.120 nan 0.000 0.290 388 V C -1.421 174.722 176.094 0.081 0.000 1.030 388 V CA -0.773 61.610 62.300 0.138 0.000 0.881 388 V CB 0.672 32.724 31.823 0.382 0.000 0.983 388 V HN -0.727 7.353 8.190 -0.039 0.086 0.445 389 E N 6.956 127.184 120.200 0.047 0.000 2.272 389 E HA 0.438 nan 4.350 nan 0.000 0.269 389 E C -1.587 175.018 176.600 0.007 0.000 0.877 389 E CA -1.641 54.771 56.400 0.020 0.000 0.755 389 E CB 4.741 34.445 29.700 0.007 0.000 1.192 389 E HN 0.335 8.722 8.360 0.045 0.000 0.422 390 V N 6.745 126.653 119.914 -0.010 0.000 2.348 390 V HA 0.276 nan 4.120 nan 0.000 0.270 390 V C -0.102 175.979 176.094 -0.022 0.000 1.037 390 V CA -0.016 62.267 62.300 -0.030 0.000 0.872 390 V CB -0.596 31.189 31.823 -0.063 0.000 1.002 390 V HN 0.305 8.489 8.190 -0.011 0.000 0.464 391 V N 8.086 127.990 119.914 -0.015 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.190 176.280 176.094 -0.007 0.000 1.041 391 V CA 1.785 64.080 62.300 -0.008 0.000 1.025 391 V CB 0.471 32.291 31.823 -0.004 0.000 0.656 391 V HN 0.668 8.848 8.190 -0.017 0.000 0.451 392 G N -4.539 104.255 108.800 -0.010 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.656 174.900 -0.000 0.000 1.487 392 G CA 0.633 45.732 45.100 -0.002 0.000 0.795 392 G HN -0.820 7.460 8.290 -0.016 0.000 0.513 393 V N -0.921 119.002 119.914 0.015 0.000 2.925 393 V HA 0.705 nan 4.120 nan 0.000 0.311 393 V C -1.451 174.680 176.094 0.062 0.000 1.104 393 V CA -1.578 60.745 62.300 0.037 0.000 0.954 393 V CB 3.505 35.347 31.823 0.031 0.000 1.022 393 V HN 0.280 8.482 8.190 0.020 0.000 0.427 394 S N 2.472 118.226 115.700 0.090 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.884 172.784 174.600 0.113 0.000 1.121 394 S CA -1.082 57.166 58.200 0.080 0.000 0.887 394 S CB 3.505 66.736 63.200 0.051 0.000 1.094 394 S HN 0.308 8.681 8.310 0.105 0.000 0.474 395 I N -1.592 119.022 120.570 0.073 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.794 174.323 176.117 -0.000 0.000 0.992 395 I CA -2.108 59.207 61.300 0.025 0.000 1.149 395 I CB 1.283 39.242 38.000 -0.067 0.000 1.315 395 I HN 0.359 8.895 8.210 0.053 -0.294 0.446 396 N N 8.137 126.842 118.700 0.009 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.460 174.079 175.510 0.048 0.000 1.024 396 N CA 0.193 53.256 53.050 0.022 0.000 0.894 396 N CB 2.241 40.741 38.487 0.021 0.000 1.173 396 N HN 0.575 8.847 8.380 0.001 0.109 0.487 397 S N 2.756 118.476 115.700 0.034 0.000 2.929 397 S HA 0.196 nan 4.470 nan 0.000 0.311 397 S C -0.710 173.902 174.600 0.019 0.000 1.213 397 S CA -0.412 57.817 58.200 0.048 0.000 0.908 397 S CB 2.269 65.493 63.200 0.040 0.000 1.287 397 S HN 0.024 8.345 8.310 0.017 0.000 0.594 398 K N 1.994 122.400 120.400 0.010 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.601 176.600 -0.007 0.000 1.048 398 K CA 1.835 58.119 56.287 -0.005 0.000 0.927 398 K CB 0.280 32.768 32.500 -0.020 0.000 0.712 398 K HN 0.062 8.661 8.250 0.015 -0.340 0.441 399 T N 0.424 114.973 114.554 -0.009 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.537 173.159 174.700 -0.007 0.000 0.993 399 T CA -0.674 61.420 62.100 -0.009 0.000 0.970 399 T CB 1.980 70.840 68.868 -0.013 0.000 0.950 399 T HN -0.167 8.072 8.240 -0.010 -0.005 0.441 400 A N 3.993 126.812 122.820 -0.002 0.000 2.462 400 A HA -0.082 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.741 177.584 -0.003 0.000 1.076 400 A CA 0.772 52.810 52.037 0.000 0.000 0.773 400 A CB 0.036 19.041 19.000 0.008 0.000 1.010 400 A HN 0.317 8.467 8.150 0.000 0.000 0.493 401 N N -2.425 116.268 118.700 -0.011 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.541 173.956 175.510 -0.022 0.000 1.078 401 N CA 1.189 54.233 53.050 -0.011 0.000 0.804 401 N CB -1.515 36.981 38.487 0.015 0.000 1.135 401 N HN 0.268 8.534 8.380 -0.015 0.105 0.565 402 V N -8.415 111.477 119.914 -0.037 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.170 173.884 176.094 -0.067 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.037 0.000 0.901 402 V CB 3.083 34.894 31.823 -0.020 0.000 1.003 402 V HN -0.603 7.511 8.190 -0.035 0.054 0.425 403 I N 4.162 124.681 120.570 -0.086 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.912 174.188 176.117 -0.027 0.000 1.005 403 I CA -1.826 59.417 61.300 -0.094 0.000 1.113 403 I CB 3.729 41.595 38.000 -0.224 0.000 1.289 403 I HN 0.710 8.880 8.210 -0.066 0.000 0.436 404 T N 9.155 123.715 114.554 0.011 0.000 2.859 404 T HA 0.546 nan 4.350 nan 0.000 0.281 404 T C -1.943 172.790 174.700 0.055 0.000 1.005 404 T CA -0.813 61.289 62.100 0.002 0.000 1.025 404 T CB 1.878 70.718 68.868 -0.046 0.000 0.977 404 T HN 0.217 8.483 8.240 0.042 0.000 0.458 405 T N 5.876 120.462 114.554 0.054 0.000 2.876 405 T HA 0.965 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.279 174.700 -0.084 0.000 1.014 405 T CA -1.693 60.494 62.100 0.145 0.000 0.986 405 T CB 1.319 70.380 68.868 0.322 0.000 1.021 405 T HN 0.241 8.492 8.240 0.018 0.000 0.458 406 L N 3.953 125.169 121.223 -0.012 0.000 2.510 406 L HA 0.745 nan 4.340 nan 0.000 0.252 406 L C -1.921 175.039 176.870 0.151 0.000 1.091 406 L CA -1.049 53.676 54.840 -0.193 0.000 0.888 406 L CB 4.288 46.256 42.059 -0.150 0.000 1.507 406 L HN 1.001 9.197 8.230 0.130 0.112 0.407 407 I N -0.837 119.814 120.570 0.135 0.000 2.392 407 I HA 0.506 nan 4.170 nan 0.000 0.295 407 I C -1.934 174.181 176.117 -0.004 0.000 0.985 407 I CA -2.505 58.874 61.300 0.132 0.000 1.221 407 I CB 1.602 39.718 38.000 0.194 0.000 1.366 407 I HN 0.204 8.439 8.210 0.042 0.000 0.467 408 K N 8.033 128.316 120.400 -0.196 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.741 174.660 176.600 -0.333 0.000 0.934 408 K CA -2.141 53.982 56.287 -0.272 0.000 0.798 408 K CB 3.414 35.684 32.500 -0.383 0.000 1.204 408 K HN 0.869 8.815 8.250 -0.330 0.105 0.427 409 E N 3.168 123.237 120.200 -0.217 0.000 2.313 409 E HA 0.450 nan 4.350 nan 0.000 0.272 409 E C -1.197 175.152 176.600 -0.419 0.000 1.038 409 E CA -0.851 55.314 56.400 -0.392 0.000 0.863 409 E CB 1.163 30.662 29.700 -0.335 0.000 1.060 409 E HN 0.295 8.568 8.360 -0.144 0.000 0.402 410 S N 1.458 116.762 115.700 -0.661 0.000 2.607 410 S HA 0.398 nan 4.470 nan 0.000 0.273 410 S C -2.153 171.950 174.600 -0.828 0.000 1.148 410 S CA -1.267 56.538 58.200 -0.658 0.000 0.833 410 S CB 2.504 65.329 63.200 -0.626 0.000 1.130 410 S HN 0.726 8.529 8.310 -0.845 0.000 0.470 411 L N 0.834 121.789 121.223 -0.446 0.000 2.370 411 L HA 0.768 nan 4.340 nan 0.000 0.266 411 L C -1.554 175.304 176.870 -0.020 0.000 1.002 411 L CA -1.523 53.175 54.840 -0.236 0.000 0.818 411 L CB 3.080 45.063 42.059 -0.126 0.000 1.325 411 L HN 0.287 8.335 8.230 -0.303 0.000 0.418 412 L N 1.725 123.017 121.223 0.115 0.000 2.365 412 L HA 0.430 nan 4.340 nan 0.000 0.273 412 L C -2.031 174.879 176.870 0.067 0.000 1.000 412 L CA -1.628 53.300 54.840 0.146 0.000 0.819 412 L CB 4.605 46.788 42.059 0.206 0.000 1.284 412 L HN 0.883 9.064 8.230 0.103 0.111 0.418 413 E N 5.088 125.312 120.200 0.040 0.000 2.115 413 E HA 0.312 nan 4.350 nan 0.000 0.282 413 E C 0.042 176.648 176.600 0.011 0.000 0.987 413 E CA -0.599 55.810 56.400 0.015 0.000 0.797 413 E CB 0.726 30.432 29.700 0.010 0.000 1.086 413 E HN 0.334 8.719 8.360 0.041 0.000 0.397 414 L N 5.891 127.112 121.223 -0.003 0.000 2.240 414 L HA -0.100 nan 4.340 nan 0.000 0.211 414 L C 1.519 178.353 176.870 -0.060 0.000 1.106 414 L CA 2.307 57.145 54.840 -0.003 0.000 0.793 414 L CB -0.025 42.049 42.059 0.025 0.000 0.927 414 L HN 0.872 9.101 8.230 -0.002 0.000 0.446 415 S N -0.982 114.630 115.700 -0.147 0.000 2.387 415 S HA -0.411 nan 4.470 nan 0.000 0.230 415 S C 1.624 176.004 174.600 -0.366 0.000 1.035 415 S CA 3.184 61.236 58.200 -0.246 0.000 1.014 415 S CB -0.268 62.670 63.200 -0.437 0.000 0.836 415 S HN -0.055 8.174 8.310 -0.135 0.000 0.466 416 H N -1.015 117.874 119.070 -0.301 0.000 2.389 416 H HA -0.108 nan 4.556 nan 0.000 0.299 416 H C 1.717 176.862 175.328 -0.306 0.000 1.081 416 H CA 2.796 58.581 56.048 -0.438 0.000 1.345 416 H CB 0.024 29.380 29.762 -0.675 0.000 1.393 416 H HN -0.070 7.981 8.280 -0.354 0.017 0.520 417 G N -3.039 105.697 108.800 -0.107 0.000 2.394 417 G HA2 -0.108 nan 3.960 nan 0.000 0.214 417 G HA3 -0.108 nan 3.960 nan 0.000 0.214 417 G C -0.563 174.259 174.900 -0.130 0.000 1.176 417 G CA 0.959 45.974 45.100 -0.142 0.000 0.786 417 G HN -0.294 7.958 8.290 -0.064 0.000 0.533 418 I N -5.329 115.201 120.570 -0.067 0.000 2.797 418 I HA 0.455 nan 4.170 nan 0.000 0.307 418 I C -1.915 174.200 176.117 -0.003 0.000 1.033 418 I CA -3.554 57.730 61.300 -0.026 0.000 1.071 418 I CB 2.305 40.319 38.000 0.022 0.000 1.255 418 I HN -0.629 7.547 8.210 -0.058 0.000 0.445 419 N N 2.616 121.314 118.700 -0.005 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.418 175.051 175.510 -0.069 0.000 1.256 419 N CA 0.721 53.748 53.050 -0.040 0.000 0.914 419 N CB -0.289 38.158 38.487 -0.067 0.000 1.088 419 N HN 0.018 8.399 8.380 0.002 0.000 0.478 420 F N 1.186 121.123 119.950 -0.023 0.000 2.163 420 F HA -0.021 nan 4.527 nan 0.000 0.297 420 F C 0.202 175.996 175.800 -0.011 0.000 1.094 420 F CA 0.295 58.272 58.000 -0.038 0.000 1.290 420 F CB -0.025 38.928 39.000 -0.078 0.000 1.017 420 F HN -0.319 8.172 8.300 0.318 0.000 0.483 421 G N 0.328 108.608 108.800 -0.866 0.000 2.531 421 G HA2 -0.545 nan 3.960 nan 0.000 0.274 421 G HA3 -0.545 nan 3.960 nan 0.000 0.274 421 G C 0.546 175.397 174.900 -0.083 0.000 1.159 421 G CA 1.075 45.926 45.100 -0.415 0.000 0.969 421 G HN -0.365 7.044 8.290 -1.703 -0.140 0.554 422 T N 0.991 115.558 114.554 0.022 0.000 2.857 422 T HA -0.089 nan 4.350 nan 0.000 0.266 422 T C 0.632 175.417 174.700 0.142 0.000 1.048 422 T CA 0.599 62.751 62.100 0.087 0.000 1.139 422 T CB -0.080 68.816 68.868 0.047 0.000 0.874 422 T HN 0.609 8.842 8.240 -0.012 0.000 0.455 423 D N 1.969 122.452 120.400 0.139 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.209 176.573 176.300 0.107 0.000 1.136 423 D CA -0.053 54.011 54.000 0.107 0.000 0.879 423 D CB -0.192 40.655 40.800 0.080 0.000 1.195 423 D HN -0.706 7.740 8.370 0.127 0.000 0.443 424 Q N 2.653 122.469 119.800 0.027 0.000 2.079 424 Q HA -0.194 nan 4.340 nan 0.000 0.200 424 Q C 0.192 176.136 176.000 -0.092 0.000 0.974 424 Q CA 3.272 59.050 55.803 -0.041 0.000 0.840 424 Q CB 0.960 29.675 28.738 -0.039 0.000 0.898 424 Q HN -0.056 8.230 8.270 0.026 0.000 0.430 425 S N -4.757 110.912 115.700 -0.051 0.000 2.537 425 S HA 0.386 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.869 174.600 -0.027 0.000 1.148 425 S CA -0.410 57.745 58.200 -0.074 0.000 0.868 425 S CB 2.148 65.300 63.200 -0.079 0.000 1.115 425 S HN -0.532 7.768 8.310 -0.017 0.000 0.461 426 V N -0.195 119.705 119.914 -0.024 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.852 174.243 176.094 0.001 0.000 1.022 426 V CA -2.478 59.825 62.300 0.003 0.000 0.850 426 V CB 1.748 33.586 31.823 0.025 0.000 0.992 426 V HN 0.058 8.219 8.190 -0.049 0.000 0.426 427 K N 4.746 125.150 120.400 0.006 0.000 2.318 427 K HA 0.845 nan 4.320 nan 0.000 0.249 427 K C -2.271 174.345 176.600 0.027 0.000 0.942 427 K CA -2.460 53.833 56.287 0.010 0.000 0.808 427 K CB 3.488 35.982 32.500 -0.010 0.000 1.189 427 K HN 0.092 8.346 8.250 0.008 0.000 0.428 428 V N 1.910 121.858 119.914 0.057 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.245 173.887 176.094 0.063 0.000 1.035 428 V CA -2.847 59.502 62.300 0.080 0.000 0.889 428 V CB 3.252 35.155 31.823 0.134 0.000 0.988 428 V HN 0.689 8.922 8.190 0.071 0.000 0.440 429 K N 9.265 129.669 120.400 0.005 0.000 2.183 429 K HA 0.731 nan 4.320 nan 0.000 0.274 429 K C -1.855 174.690 176.600 -0.093 0.000 1.009 429 K CA -1.359 54.842 56.287 -0.143 0.000 0.888 429 K CB 2.292 34.694 32.500 -0.163 0.000 1.078 429 K HN 0.898 9.068 8.250 0.032 0.099 0.459 430 Y N 2.952 123.161 120.300 -0.152 0.000 2.638 430 Y HA 0.464 nan 4.550 nan 0.000 0.339 430 Y C -2.347 173.382 175.900 -0.285 0.000 1.084 430 Y CA -2.626 55.411 58.100 -0.106 0.000 1.068 430 Y CB 2.276 40.761 38.460 0.041 0.000 1.294 430 Y HN 0.974 8.609 8.280 -0.884 0.114 0.480 431 H N -1.148 118.099 119.070 0.294 0.000 2.622 431 H HA 0.774 nan 4.556 nan 0.000 0.363 431 H C -0.504 174.979 175.328 0.259 0.000 1.151 431 H CA -1.672 54.450 56.048 0.123 0.000 1.184 431 H CB 3.699 33.505 29.762 0.074 0.000 1.643 431 H HN 0.202 8.790 8.280 0.514 0.000 0.531 432 H N -2.093 117.134 119.070 0.262 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.245 173.179 175.328 0.161 0.000 1.252 432 H CA -2.149 54.003 56.048 0.172 0.000 1.117 432 H CB 2.668 32.396 29.762 -0.056 0.000 1.857 432 H HN 0.824 8.946 8.280 -0.264 0.000 0.547 433 L N -0.915 120.553 121.223 0.408 0.000 2.417 433 L HA 0.292 nan 4.340 nan 0.000 0.268 433 L C -0.496 176.671 176.870 0.495 0.000 1.158 433 L CA 0.285 55.341 54.840 0.360 0.000 0.819 433 L CB 0.873 43.118 42.059 0.310 0.000 1.112 433 L HN 0.332 8.858 8.230 0.493 0.000 0.458 434 D N 3.502 124.111 120.400 0.347 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.507 173.921 176.300 0.213 0.000 1.232 434 D CA -1.035 53.135 54.000 0.285 0.000 0.819 434 D CB 3.881 44.790 40.800 0.182 0.000 1.401 434 D HN 0.737 9.290 8.370 0.305 0.000 0.429 435 H N -2.250 116.898 119.070 0.130 0.000 2.946 435 H HA 0.740 nan 4.556 nan 0.000 0.365 435 H C -1.481 173.843 175.328 -0.006 0.000 1.197 435 H CA -2.109 53.978 56.048 0.066 0.000 1.131 435 H CB 3.007 32.823 29.762 0.090 0.000 1.849 435 H HN 0.014 8.096 8.280 -0.331 0.000 0.555 436 E N 1.151 121.435 120.200 0.140 0.000 2.390 436 E HA 0.040 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.031 176.600 0.073 0.000 1.076 436 E CA -1.909 54.524 56.400 0.054 0.000 0.905 436 E CB 1.178 30.913 29.700 0.058 0.000 0.984 436 E HN 0.057 8.528 8.360 0.185 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.257 177.300 0.019 0.000 1.228 437 P CA 0.287 63.272 63.100 -0.191 0.000 0.786 437 P CB 0.599 32.394 31.700 0.158 0.000 0.927 438 F N -4.106 115.890 119.950 0.078 0.000 2.711 438 F HA 0.649 nan 4.527 nan 0.000 0.313 438 F C -2.171 173.558 175.800 -0.119 0.000 1.141 438 F CA -2.233 55.729 58.000 -0.063 0.000 0.941 438 F CB 2.263 41.154 39.000 -0.181 0.000 1.349 438 F HN -0.497 7.451 8.300 -0.586 0.000 0.464 439 T N -1.410 113.173 114.554 0.048 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.120 172.477 174.700 -0.173 0.000 1.084 439 T CA -1.952 60.084 62.100 -0.107 0.000 1.008 439 T CB 3.155 71.996 68.868 -0.045 0.000 1.170 439 T HN 0.266 8.582 8.240 0.125 0.000 0.509 440 Y N 0.324 120.712 120.300 0.146 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.772 174.153 175.900 0.043 0.000 1.004 440 Y CA -2.022 56.145 58.100 0.111 0.000 1.075 440 Y CB 3.297 41.830 38.460 0.122 0.000 1.214 440 Y HN 0.574 8.905 8.280 0.084 0.000 0.455 441 N N 1.877 120.689 118.700 0.186 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.212 173.337 175.510 0.065 0.000 1.025 441 N CA -0.753 52.349 53.050 0.086 0.000 0.898 441 N CB 2.981 41.496 38.487 0.047 0.000 1.303 441 N HN 0.602 9.103 8.380 0.202 0.000 0.495 442 I N 6.654 127.235 120.570 0.019 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.783 176.117 -0.038 0.000 0.999 442 I CA -2.383 58.909 61.300 -0.013 0.000 1.124 442 I CB 3.079 41.055 38.000 -0.040 0.000 1.289 442 I HN 0.580 8.786 8.210 -0.006 0.000 0.441 443 V N 9.774 129.673 119.914 -0.025 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.530 176.094 -0.026 0.000 1.037 443 V CA -0.876 61.410 62.300 -0.023 0.000 0.900 443 V CB 0.456 32.274 31.823 -0.009 0.000 0.983 443 V HN 0.608 8.788 8.190 -0.016 0.000 0.459 444 V N 7.616 127.515 119.914 -0.025 0.000 2.735 444 V HA 0.582 nan 4.120 nan 0.000 0.310 444 V C -2.072 174.024 176.094 0.003 0.000 1.061 444 V CA -1.864 60.427 62.300 -0.015 0.000 0.913 444 V CB 3.627 35.437 31.823 -0.022 0.000 1.005 444 V HN 0.925 8.995 8.190 -0.023 0.106 0.428 445 E N 5.612 125.819 120.200 0.011 0.000 2.133 445 E HA 0.321 nan 4.350 nan 0.000 0.274 445 E C -2.038 174.579 176.600 0.028 0.000 0.930 445 E CA -2.213 54.196 56.400 0.015 0.000 0.770 445 E CB 2.505 32.210 29.700 0.009 0.000 1.104 445 E HN 0.736 9.102 8.360 0.010 0.000 0.403 446 N N 6.880 125.597 118.700 0.029 0.000 2.527 446 N HA 0.273 nan 4.740 nan 0.000 0.236 446 N C 0.590 176.112 175.510 0.021 0.000 0.999 446 N CA -1.580 51.495 53.050 0.040 0.000 0.935 446 N CB 0.526 39.039 38.487 0.044 0.000 1.132 446 N HN 0.246 8.640 8.380 0.023 0.000 0.511 447 N N 7.617 126.323 118.700 0.010 0.000 2.244 447 N HA -0.165 nan 4.740 nan 0.000 0.183 447 N C 0.483 175.987 175.510 -0.009 0.000 1.016 447 N CA 1.899 54.946 53.050 -0.005 0.000 0.866 447 N CB 0.096 38.572 38.487 -0.018 0.000 0.980 447 N HN 0.837 9.133 8.380 0.015 0.093 0.430 448 S N 0.880 116.574 115.700 -0.009 0.000 2.589 448 S HA 0.015 nan 4.470 nan 0.000 0.265 448 S C 1.327 175.927 174.600 -0.001 0.000 1.342 448 S CA 0.453 58.646 58.200 -0.012 0.000 1.005 448 S CB 0.841 64.034 63.200 -0.010 0.000 0.909 448 S HN -0.335 8.197 8.310 0.000 -0.222 0.555 449 G N -0.868 107.931 108.800 -0.002 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.100 173.803 174.900 0.006 0.000 1.143 449 G CA 0.413 45.514 45.100 0.002 0.000 0.784 449 G HN 0.415 8.701 8.290 -0.006 0.000 0.541 450 A N -0.557 122.269 122.820 0.011 0.000 2.288 450 A HA 0.239 nan 4.320 nan 0.000 0.328 450 A C -1.634 175.952 177.584 0.005 0.000 1.123 450 A CA -1.089 50.955 52.037 0.012 0.000 0.861 450 A CB 2.114 21.129 19.000 0.025 0.000 1.272 450 A HN -0.789 7.329 8.150 0.012 0.039 0.490 451 E N -0.461 119.727 120.200 -0.019 0.000 2.373 451 E HA -0.089 nan 4.350 nan 0.000 0.267 451 E C -1.090 175.442 176.600 -0.114 0.000 1.032 451 E CA 0.623 56.977 56.400 -0.076 0.000 0.889 451 E CB 0.609 30.236 29.700 -0.122 0.000 0.984 451 E HN 0.089 8.442 8.360 -0.011 0.000 0.425 452 K N 1.289 121.609 120.400 -0.132 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.447 174.965 176.600 -0.313 0.000 0.991 452 K CA -2.544 53.699 56.287 -0.074 0.000 0.845 452 K CB 3.336 35.955 32.500 0.198 0.000 1.197 452 K HN 0.693 8.770 8.250 -0.114 0.104 0.441 453 H N -0.348 118.775 119.070 0.088 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.670 174.607 175.328 -0.085 0.000 1.048 453 H CA -0.982 55.106 56.048 0.067 0.000 1.204 453 H CB 2.526 32.594 29.762 0.510 0.000 1.493 453 H HN 0.475 8.873 8.280 0.198 0.000 0.511 454 S N 2.614 118.156 115.700 -0.263 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.149 173.326 174.600 -0.209 0.000 1.099 454 S CA -1.609 56.432 58.200 -0.266 0.000 0.913 454 S CB 2.518 65.512 63.200 -0.342 0.000 1.085 454 S HN 0.931 8.858 8.310 -0.638 0.000 0.480 455 T N 3.550 118.045 114.554 -0.099 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.957 173.591 174.700 -0.253 0.000 0.970 455 T CA -0.005 62.053 62.100 -0.071 0.000 0.980 455 T CB 0.727 69.625 68.868 0.050 0.000 0.924 455 T HN 0.233 8.398 8.240 -0.125 0.000 0.456 456 V N 8.111 127.701 119.914 -0.539 0.000 2.439 456 V HA 0.510 nan 4.120 nan 0.000 0.282 456 V C -1.284 174.544 176.094 -0.443 0.000 1.039 456 V CA -0.887 61.047 62.300 -0.610 0.000 0.913 456 V CB 0.833 32.009 31.823 -1.079 0.000 0.983 456 V HN 1.151 8.795 8.190 -0.741 0.102 0.460 457 R N 6.014 126.410 120.500 -0.173 0.000 2.480 457 R HA 0.854 nan 4.340 nan 0.000 0.306 457 R C -1.479 174.844 176.300 0.037 0.000 0.958 457 R CA -1.445 54.658 56.100 0.005 0.000 0.861 457 R CB 2.678 33.143 30.300 0.276 0.000 1.171 457 R HN 0.942 9.126 8.270 -0.143 0.000 0.445 458 I N 2.932 123.445 120.570 -0.094 0.000 2.498 458 I HA 0.677 nan 4.170 nan 0.000 0.290 458 I C -1.716 174.287 176.117 -0.189 0.000 1.032 458 I CA -0.977 60.288 61.300 -0.059 0.000 1.073 458 I CB 3.122 40.993 38.000 -0.214 0.000 1.251 458 I HN 0.758 8.843 8.210 -0.209 0.000 0.426 459 F N 4.965 125.060 119.950 0.241 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.204 173.751 175.800 0.259 0.000 1.069 459 F CA -1.562 56.588 58.000 0.250 0.000 0.953 459 F CB 4.553 43.698 39.000 0.241 0.000 1.322 459 F HN 0.579 9.183 8.300 0.506 0.000 0.479 460 L N 0.521 121.993 121.223 0.416 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.498 174.537 176.870 0.275 0.000 0.993 460 L CA -1.685 53.332 54.840 0.295 0.000 0.819 460 L CB 4.187 46.307 42.059 0.103 0.000 1.294 460 L HN 0.635 9.102 8.230 0.395 0.000 0.414 461 A N 4.731 127.682 122.820 0.218 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.600 174.010 177.584 0.044 0.000 1.059 461 A CA -2.764 49.194 52.037 -0.131 0.000 0.698 461 A CB 2.345 20.758 19.000 -0.979 0.000 1.289 461 A HN 0.802 9.130 8.150 0.297 0.000 0.404 462 P HA 0.088 nan 4.420 nan 0.000 0.271 462 P C -1.123 175.988 177.300 -0.315 0.000 1.216 462 P CA -0.549 62.363 63.100 -0.314 0.000 0.771 462 P CB 0.457 31.993 31.700 -0.275 0.000 0.864 463 K N 1.021 121.203 120.400 -0.364 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.126 176.453 176.600 -0.455 0.000 1.051 463 K CA 2.283 58.349 56.287 -0.367 0.000 0.949 463 K CB 1.054 33.300 32.500 -0.424 0.000 0.726 463 K HN -0.118 7.830 8.250 -0.503 0.000 0.443 464 Y N -4.613 115.536 120.300 -0.252 0.000 2.310 464 Y HA -0.027 nan 4.550 nan 0.000 0.326 464 Y C -0.409 175.389 175.900 -0.169 0.000 1.151 464 Y CA 0.616 58.606 58.100 -0.183 0.000 1.195 464 Y CB 0.865 39.221 38.460 -0.173 0.000 1.210 464 Y HN -0.573 7.644 8.280 -0.104 0.000 0.483 465 D N 1.976 122.386 120.400 0.017 0.000 2.530 465 D HA 0.063 nan 4.640 nan 0.000 0.282 465 D C -0.056 176.248 176.300 0.006 0.000 1.204 465 D CA -1.506 52.482 54.000 -0.020 0.000 1.093 465 D CB 1.921 42.698 40.800 -0.039 0.000 1.154 465 D HN -0.315 8.074 8.370 0.032 0.000 0.593 466 E N -1.049 119.142 120.200 -0.014 0.000 2.474 466 E HA 0.034 nan 4.350 nan 0.000 0.194 466 E C -0.394 176.203 176.600 -0.005 0.000 1.041 466 E CA 0.968 57.360 56.400 -0.014 0.000 0.874 466 E CB 0.035 29.722 29.700 -0.022 0.000 0.914 466 E HN 0.315 8.660 8.360 -0.025 0.000 0.498 467 L N -0.522 120.701 121.223 0.001 0.000 2.208 467 L HA 0.110 nan 4.340 nan 0.000 0.196 467 L C 0.839 177.723 176.870 0.023 0.000 1.130 467 L CA 0.915 55.757 54.840 0.004 0.000 0.791 467 L CB 0.150 42.206 42.059 -0.004 0.000 0.969 467 L HN -0.448 7.867 8.230 -0.002 -0.086 0.468 468 N N -4.041 114.682 118.700 0.039 0.000 3.449 468 N HA -0.015 nan 4.740 nan 0.000 0.312 468 N C -1.873 173.684 175.510 0.078 0.000 1.557 468 N CA -0.616 52.488 53.050 0.090 0.000 0.864 468 N CB 1.354 39.876 38.487 0.058 0.000 1.799 468 N HN -0.569 7.823 8.380 0.020 0.000 0.554 469 N N 0.091 118.817 118.700 0.043 0.000 2.406 469 N HA -0.165 nan 4.740 nan 0.000 0.274 469 N C -1.302 174.091 175.510 -0.196 0.000 1.249 469 N CA 1.285 54.180 53.050 -0.259 0.000 0.951 469 N CB 0.063 38.365 38.487 -0.309 0.000 1.241 469 N HN 0.246 8.697 8.380 0.118 0.000 0.485 470 K N 4.566 124.853 120.400 -0.189 0.000 2.740 470 K HA 0.228 nan 4.320 nan 0.000 0.246 470 K C -1.173 175.355 176.600 -0.121 0.000 1.021 470 K CA -1.123 55.090 56.287 -0.122 0.000 1.021 470 K CB 1.241 33.697 32.500 -0.073 0.000 1.233 470 K HN -0.283 7.835 8.250 -0.220 0.000 0.497 471 L N 6.269 127.426 121.223 -0.110 0.000 2.416 471 L HA 0.030 nan 4.340 nan 0.000 0.243 471 L C -0.981 175.866 176.870 -0.038 0.000 1.373 471 L CA -0.611 54.179 54.840 -0.083 0.000 1.227 471 L CB -1.263 40.764 42.059 -0.055 0.000 1.428 471 L HN 0.677 8.846 8.230 -0.102 0.000 0.425 472 E N 2.203 122.372 120.200 -0.053 0.000 2.044 472 E HA 0.205 nan 4.350 nan 0.000 0.282 472 E C -1.397 175.191 176.600 -0.019 0.000 1.031 472 E CA -2.524 53.861 56.400 -0.026 0.000 0.824 472 E CB 0.020 29.701 29.700 -0.031 0.000 1.076 472 E HN -0.159 8.110 8.360 -0.080 0.043 0.395 473 P HA -0.257 nan 4.420 nan 0.000 0.219 473 P C 0.712 178.028 177.300 0.026 0.000 1.146 473 P CA 2.531 65.655 63.100 0.039 0.000 0.808 473 P CB 0.172 31.879 31.700 0.011 0.000 0.779 474 D N -1.633 118.771 120.400 0.005 0.000 2.097 474 D HA -0.258 nan 4.640 nan 0.000 0.195 474 D C 2.553 178.853 176.300 -0.001 0.000 0.989 474 D CA 3.095 57.099 54.000 0.006 0.000 0.827 474 D CB -0.380 40.422 40.800 0.003 0.000 0.966 474 D HN 0.311 8.659 8.370 0.004 0.025 0.456 475 E N -0.534 119.648 120.200 -0.030 0.000 2.106 475 E HA -0.304 nan 4.350 nan 0.000 0.192 475 E C 2.638 179.171 176.600 -0.112 0.000 0.984 475 E CA 2.593 58.956 56.400 -0.060 0.000 0.806 475 E CB -0.106 29.548 29.700 -0.076 0.000 0.750 475 E HN -0.485 7.857 8.360 -0.031 0.000 0.458 476 Q N -1.659 118.054 119.800 -0.146 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.067 177.858 176.000 -0.347 0.000 0.980 476 Q CA 2.805 58.364 55.803 -0.406 0.000 0.869 476 Q CB -0.361 28.134 28.738 -0.405 0.000 0.912 476 Q HN -0.223 7.879 8.270 -0.080 0.120 0.436 477 R N -1.716 118.820 120.500 0.059 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.285 176.300 0.051 0.000 1.136 477 R CA 2.693 58.905 56.100 0.187 0.000 0.959 477 R CB -0.548 29.840 30.300 0.147 0.000 0.856 477 R HN -0.670 7.502 8.270 0.063 0.136 0.437 478 R N -3.155 117.326 120.500 -0.032 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.003 178.240 176.300 -0.104 0.000 1.126 478 R CA 1.484 57.557 56.100 -0.043 0.000 0.963 478 R CB -0.188 30.088 30.300 -0.040 0.000 0.858 478 R HN -0.530 7.717 8.270 -0.038 0.000 0.435 479 L N -1.719 119.375 121.223 -0.215 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.613 177.317 176.870 -0.277 0.000 1.095 479 L CA 1.540 56.218 54.840 -0.271 0.000 0.770 479 L CB 0.092 41.905 42.059 -0.411 0.000 0.914 479 L HN -0.741 7.194 8.230 -0.267 0.135 0.439 480 F N -2.575 117.205 119.950 -0.283 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.249 176.008 175.800 -0.069 0.000 1.083 480 F CA 1.713 59.520 58.000 -0.323 0.000 1.266 480 F CB 0.154 38.587 39.000 -0.944 0.000 1.076 480 F HN -0.629 7.407 8.300 -0.440 0.000 0.574 481 I N -1.448 119.288 120.570 0.276 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.734 174.578 176.117 0.326 0.000 1.011 481 I CA -2.245 59.191 61.300 0.228 0.000 1.107 481 I CB 3.432 41.476 38.000 0.074 0.000 1.285 481 I HN 0.669 9.046 8.210 0.279 0.000 0.436 482 E N 4.769 125.090 120.200 0.202 0.000 2.152 482 E HA 0.134 nan 4.350 nan 0.000 0.285 482 E C -0.243 176.249 176.600 -0.180 0.000 1.043 482 E CA -1.058 55.170 56.400 -0.287 0.000 0.839 482 E CB 1.243 30.878 29.700 -0.109 0.000 1.069 482 E HN -0.209 8.551 8.360 0.263 -0.242 0.399 483 L N 5.941 127.025 121.223 -0.233 0.000 2.095 483 L HA -0.036 nan 4.340 nan 0.000 0.204 483 L C -0.458 176.378 176.870 -0.057 0.000 1.080 483 L CA 1.864 56.671 54.840 -0.055 0.000 0.759 483 L CB 0.441 42.523 42.059 0.038 0.000 0.914 483 L HN 0.451 8.444 8.230 -0.395 0.000 0.439 484 D N -5.482 114.835 120.400 -0.137 0.000 2.720 484 D HA 0.140 nan 4.640 nan 0.000 0.239 484 D C -2.788 173.510 176.300 -0.003 0.000 1.218 484 D CA -0.100 53.900 54.000 0.000 0.000 0.748 484 D CB 3.285 44.183 40.800 0.163 0.000 1.387 484 D HN -0.637 7.555 8.370 -0.296 0.000 0.438 485 K N 2.257 122.717 120.400 0.100 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.917 174.802 176.600 0.199 0.000 0.948 485 K CA -0.573 55.746 56.287 0.053 0.000 0.796 485 K CB 2.988 35.510 32.500 0.037 0.000 1.216 485 K HN -0.258 8.080 8.250 0.146 0.000 0.432 486 F N 1.310 121.286 119.950 0.044 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.116 172.762 175.800 0.130 0.000 1.141 486 F CA -1.927 56.123 58.000 0.083 0.000 0.939 486 F CB 1.959 40.997 39.000 0.063 0.000 1.325 486 F HN 0.179 8.184 8.300 -0.491 0.000 0.453 487 F N 0.167 120.231 119.950 0.189 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.195 173.725 175.800 0.200 0.000 1.105 487 F CA -1.121 56.901 58.000 0.037 0.000 1.049 487 F CB 2.139 41.035 39.000 -0.173 0.000 1.139 487 F HN -0.200 8.419 8.300 0.532 0.000 0.479 488 Y N 7.542 127.090 120.300 -1.252 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.467 172.781 175.900 -1.087 0.000 1.045 488 Y CA -0.741 56.885 58.100 -0.791 0.000 1.028 488 Y CB 4.784 43.095 38.460 -0.248 0.000 1.297 488 Y HN 0.718 8.246 8.280 -1.253 0.000 0.463 489 T N 5.384 119.345 114.554 -0.988 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.466 173.065 174.700 -0.282 0.000 0.998 489 T CA -0.617 61.159 62.100 -0.541 0.000 0.994 489 T CB 0.943 69.613 68.868 -0.329 0.000 0.960 489 T HN -0.003 7.259 8.240 -1.630 0.000 0.448 490 L N 6.312 127.447 121.223 -0.147 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.532 176.312 176.870 -0.043 0.000 1.006 490 L CA -1.419 53.418 54.840 -0.004 0.000 0.817 490 L CB 2.454 44.532 42.059 0.032 0.000 1.272 490 L HN 1.022 8.998 8.230 -0.228 0.117 0.421 491 T N 0.027 114.578 114.554 -0.006 0.000 2.862 491 T HA 0.491 nan 4.350 nan 0.000 0.276 491 T C -2.154 172.549 174.700 0.005 0.000 0.974 491 T CA -3.137 58.955 62.100 -0.012 0.000 0.966 491 T CB -0.485 68.381 68.868 -0.003 0.000 1.072 491 T HN -0.247 8.172 8.240 0.027 -0.162 0.538 492 P HA -0.013 nan 4.420 nan 0.000 0.274 492 P C -0.896 176.410 177.300 0.011 0.000 1.231 492 P CA -0.022 63.083 63.100 0.009 0.000 0.790 492 P CB 0.271 31.974 31.700 0.005 0.000 0.951 493 G N 2.035 110.842 108.800 0.012 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.746 173.162 174.900 0.014 0.000 1.331 493 G CA -0.583 44.524 45.100 0.011 0.000 0.891 493 G HN 0.047 8.344 8.290 0.012 0.000 0.539 494 K N 1.086 121.494 120.400 0.012 0.000 2.237 494 K HA 0.271 nan 4.320 nan 0.000 0.270 494 K C -0.716 175.895 176.600 0.017 0.000 1.015 494 K CA 0.517 56.812 56.287 0.012 0.000 0.949 494 K CB 0.822 33.327 32.500 0.008 0.000 0.976 494 K HN 0.104 8.360 8.250 0.011 0.000 0.472 495 N N 2.325 121.034 118.700 0.015 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.274 175.510 -0.007 0.000 1.125 495 N CA -0.682 52.381 53.050 0.023 0.000 0.783 495 N CB 5.093 43.610 38.487 0.050 0.000 1.558 495 N HN 0.314 8.699 8.380 0.007 0.000 0.472 496 T N -2.332 112.213 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.879 173.750 174.700 -0.118 0.000 0.991 496 T CA -1.436 60.635 62.100 -0.048 0.000 0.964 496 T CB 1.144 70.000 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.373 8.240 0.011 0.000 0.438 497 I N 6.815 127.263 120.570 -0.204 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.400 174.612 176.117 -0.176 0.000 0.992 497 I CA -0.851 60.211 61.300 -0.398 0.000 1.154 497 I CB 2.508 40.141 38.000 -0.611 0.000 1.315 497 I HN 0.772 8.785 8.210 -0.145 0.110 0.448 498 V N 7.405 127.236 119.914 -0.139 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.247 174.793 176.094 -0.090 0.000 1.038 498 V CA -1.524 60.744 62.300 -0.053 0.000 0.887 498 V CB 1.818 33.623 31.823 -0.031 0.000 0.991 498 V HN 0.282 8.371 8.190 -0.167 0.000 0.434 499 R N 7.728 128.202 120.500 -0.044 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.292 173.970 176.300 -0.062 0.000 0.987 499 R CA -2.567 53.444 56.100 -0.149 0.000 0.901 499 R CB 4.148 34.235 30.300 -0.355 0.000 1.207 499 R HN 0.221 8.529 8.270 0.063 0.000 0.463 500 N N 3.484 122.092 118.700 -0.154 0.000 2.466 500 N HA 0.359 nan 4.740 nan 0.000 0.294 500 N C 1.134 176.485 175.510 -0.265 0.000 1.129 500 N CA -1.411 51.513 53.050 -0.210 0.000 0.931 500 N CB 1.480 39.818 38.487 -0.248 0.000 1.193 500 N HN 0.353 8.612 8.380 -0.202 0.000 0.500 501 H N 0.504 119.300 119.070 -0.457 0.000 2.421 501 H HA -0.309 nan 4.556 nan 0.000 0.298 501 H C 2.133 177.316 175.328 -0.241 0.000 1.087 501 H CA 3.717 59.454 56.048 -0.517 0.000 1.330 501 H CB -0.044 28.951 29.762 -1.278 0.000 1.388 501 H HN 0.579 8.593 8.280 -0.443 0.000 0.526 502 Q N -1.155 117.944 119.800 -1.168 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.799 176.599 176.000 -0.332 0.000 0.981 502 Q CA 2.610 57.944 55.803 -0.782 0.000 0.856 502 Q CB -0.838 27.528 28.738 -0.619 0.000 0.902 502 Q HN 0.341 7.857 8.270 -1.202 0.033 0.425 503 D N -2.562 117.674 120.400 -0.272 0.000 2.310 503 D HA -0.011 nan 4.640 nan 0.000 0.212 503 D C 0.480 176.718 176.300 -0.103 0.000 0.965 503 D CA 0.546 54.442 54.000 -0.173 0.000 0.879 503 D CB 0.167 40.851 40.800 -0.193 0.000 0.921 503 D HN -0.604 7.646 8.370 -0.321 -0.073 0.510 504 S N 0.720 116.383 115.700 -0.062 0.000 2.715 504 S HA -0.352 nan 4.470 nan 0.000 0.318 504 S C 0.821 175.413 174.600 -0.013 0.000 1.242 504 S CA 0.610 58.815 58.200 0.008 0.000 1.044 504 S CB 0.339 63.580 63.200 0.069 0.000 0.760 504 S HN -0.474 7.589 8.310 -0.094 0.191 0.501 505 S N 8.717 124.412 115.700 -0.009 0.000 2.453 505 S HA -0.171 nan 4.470 nan 0.000 0.231 505 S C 1.624 176.163 174.600 -0.102 0.000 1.005 505 S CA 3.257 61.440 58.200 -0.029 0.000 0.949 505 S CB 0.108 63.307 63.200 -0.001 0.000 0.774 505 S HN 0.140 8.754 8.310 0.023 -0.290 0.510 506 V N -6.275 113.523 119.914 -0.192 0.000 2.719 506 V HA 0.045 nan 4.120 nan 0.000 0.252 506 V C -0.516 175.495 176.094 -0.140 0.000 1.065 506 V CA 1.446 63.480 62.300 -0.443 0.000 1.086 506 V CB -0.832 30.620 31.823 -0.618 0.000 0.700 506 V HN -0.632 7.445 8.190 -0.134 0.033 0.467 507 T N -3.844 110.711 114.554 0.001 0.000 2.945 507 T HA 0.539 nan 4.350 nan 0.000 0.286 507 T C -1.393 173.341 174.700 0.057 0.000 1.025 507 T CA -2.696 59.459 62.100 0.092 0.000 1.039 507 T CB 2.420 71.356 68.868 0.113 0.000 1.068 507 T HN -0.712 7.477 8.240 -0.017 0.040 0.497 508 I N 2.288 122.897 120.570 0.065 0.000 2.416 508 I HA 0.068 nan 4.170 nan 0.000 0.288 508 I C 0.009 176.114 176.117 -0.020 0.000 1.051 508 I CA -2.032 59.278 61.300 0.017 0.000 1.375 508 I CB 1.750 39.766 38.000 0.025 0.000 1.407 508 I HN 0.132 8.394 8.210 0.086 0.000 0.516 509 S N 9.463 125.127 115.700 -0.059 0.000 2.383 509 S HA -0.228 nan 4.470 nan 0.000 0.227 509 S C -0.136 174.419 174.600 -0.075 0.000 1.026 509 S CA 2.363 60.520 58.200 -0.071 0.000 0.981 509 S CB 0.458 63.601 63.200 -0.095 0.000 0.818 509 S HN 0.426 8.948 8.310 -0.072 -0.255 0.472 510 K N -1.340 118.993 120.400 -0.111 0.000 2.589 510 K HA -0.006 nan 4.320 nan 0.000 0.265 510 K C -2.314 174.200 176.600 -0.143 0.000 0.935 510 K CA -0.042 56.184 56.287 -0.102 0.000 0.850 510 K CB 2.130 34.569 32.500 -0.101 0.000 1.372 510 K HN -0.796 7.364 8.250 -0.150 0.000 0.420 511 V N 2.089 121.955 119.914 -0.080 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.782 175.305 176.094 -0.012 0.000 1.024 511 V CA -1.773 60.489 62.300 -0.064 0.000 0.861 511 V CB 1.490 33.297 31.823 -0.027 0.000 0.985 511 V HN 0.103 8.265 8.190 -0.047 0.000 0.436 512 R N 6.814 127.351 120.500 0.062 0.000 2.390 512 R HA 0.171 nan 4.340 nan 0.000 0.291 512 R C -0.111 176.211 176.300 0.036 0.000 1.070 512 R CA -0.783 55.369 56.100 0.086 0.000 1.014 512 R CB 0.243 30.662 30.300 0.199 0.000 1.007 512 R HN 0.037 8.382 8.270 0.126 0.000 0.466 513 T N 1.892 116.458 114.554 0.020 0.000 2.868 513 T HA 0.205 nan 4.350 nan 0.000 0.292 513 T C 0.967 175.677 174.700 0.018 0.000 1.028 513 T CA -0.751 61.358 62.100 0.014 0.000 1.059 513 T CB 1.653 70.538 68.868 0.028 0.000 0.991 513 T HN 0.042 8.297 8.240 0.024 0.000 0.531 514 F N 5.569 125.369 119.950 -0.250 0.000 2.192 514 F HA -0.380 nan 4.527 nan 0.000 0.301 514 F C 1.269 176.928 175.800 -0.234 0.000 1.079 514 F CA 3.460 61.231 58.000 -0.383 0.000 1.303 514 F CB 0.206 38.646 39.000 -0.934 0.000 1.024 514 F HN 0.425 9.075 8.300 0.032 -0.331 0.494 515 D N -1.993 118.492 120.400 0.142 0.000 2.092 515 D HA -0.340 nan 4.640 nan 0.000 0.193 515 D C 2.492 178.835 176.300 0.072 0.000 0.994 515 D CA 3.472 57.551 54.000 0.131 0.000 0.828 515 D CB -0.751 40.114 40.800 0.109 0.000 0.963 515 D HN -0.437 8.005 8.370 0.106 -0.008 0.450 516 Q N -0.792 119.033 119.800 0.041 0.000 2.030 516 Q HA -0.294 nan 4.340 nan 0.000 0.204 516 Q C 2.970 178.969 176.000 -0.002 0.000 0.986 516 Q CA 2.796 58.610 55.803 0.019 0.000 0.843 516 Q CB 0.112 28.863 28.738 0.021 0.000 0.904 516 Q HN -0.582 7.622 8.270 0.042 0.091 0.420 517 L N -1.346 119.859 121.223 -0.032 0.000 2.129 517 L HA -0.315 nan 4.340 nan 0.000 0.212 517 L C 2.180 179.007 176.870 -0.072 0.000 1.087 517 L CA 2.245 57.024 54.840 -0.102 0.000 0.757 517 L CB -0.782 41.149 42.059 -0.213 0.000 0.896 517 L HN 0.280 8.497 8.230 -0.022 0.000 0.434 518 G N -2.089 106.717 108.800 0.010 0.000 2.450 518 G HA2 -0.308 nan 3.960 nan 0.000 0.220 518 G HA3 -0.308 nan 3.960 nan 0.000 0.220 518 G C -0.211 174.698 174.900 0.015 0.000 1.130 518 G CA 0.971 46.101 45.100 0.050 0.000 0.760 518 G HN -0.071 8.036 8.290 0.050 0.213 0.557 519 A N 1.137 123.958 122.820 0.001 0.000 2.109 519 A HA 0.267 nan 4.320 nan 0.000 0.220 519 A C -0.415 177.151 177.584 -0.029 0.000 1.613 519 A CA 0.344 52.375 52.037 -0.009 0.000 0.620 519 A CB 1.171 20.168 19.000 -0.004 0.000 1.212 519 A HN -0.203 7.820 8.150 0.005 0.130 0.508 520 G N -1.530 107.248 108.800 -0.036 0.000 2.194 520 G HA2 -0.117 nan 3.960 nan 0.000 0.178 520 G HA3 -0.117 nan 3.960 nan 0.000 0.178 520 G C -1.676 173.201 174.900 -0.039 0.000 2.173 520 G CA -0.066 45.002 45.100 -0.052 0.000 1.042 520 G HN -0.128 8.145 8.290 -0.027 0.000 0.588 521 E N 2.647 122.827 120.200 -0.033 0.000 2.405 521 E HA 0.318 nan 4.350 nan 0.000 0.249 521 E C -0.600 175.999 176.600 -0.002 0.000 1.028 521 E CA -1.171 55.225 56.400 -0.006 0.000 0.897 521 E CB 1.533 31.247 29.700 0.025 0.000 1.262 521 E HN -0.059 8.273 8.360 -0.047 0.000 0.442 522 G N -0.199 108.613 108.800 0.019 0.000 4.566 522 G HA2 0.224 nan 3.960 nan 0.000 0.276 522 G HA3 0.224 nan 3.960 nan 0.000 0.276 522 G C -1.537 173.381 174.900 0.029 0.000 1.248 522 G CA 0.117 45.224 45.100 0.012 0.000 0.858 522 G HN 0.320 8.626 8.290 0.026 0.000 0.549 523 V N 0.226 120.189 119.914 0.082 0.000 3.604 523 V HA 0.278 nan 4.120 nan 0.000 0.277 523 V C 0.119 176.239 176.094 0.044 0.000 1.399 523 V CA 0.726 63.061 62.300 0.058 0.000 1.034 523 V CB -0.185 31.677 31.823 0.066 0.000 0.824 523 V HN 0.170 8.440 8.190 0.133 0.000 0.439 524 S N 2.514 118.276 115.700 0.104 0.000 3.853 524 S HA 0.043 nan 4.470 nan 0.000 0.186 524 S C -0.724 173.936 174.600 0.098 0.000 0.956 524 S CA -0.555 57.692 58.200 0.079 0.000 1.468 524 S CB 1.299 64.513 63.200 0.024 0.000 0.854 524 S HN -0.375 8.009 8.310 0.123 0.000 0.807 525 E N 2.132 122.349 120.200 0.029 0.000 2.873 525 E HA 0.238 nan 4.350 nan 0.000 0.232 525 E C -1.685 174.872 176.600 -0.072 0.000 1.123 525 E CA -0.730 55.633 56.400 -0.062 0.000 0.809 525 E CB 1.226 30.873 29.700 -0.088 0.000 1.366 525 E HN 0.177 8.550 8.360 0.022 0.000 0.400 526 D N 1.734 122.105 120.400 -0.049 0.000 3.361 526 D HA 0.204 nan 4.640 nan 0.000 0.202 526 D C -0.829 175.419 176.300 -0.088 0.000 1.208 526 D CA -0.098 53.890 54.000 -0.020 0.000 1.397 526 D CB 2.263 43.112 40.800 0.081 0.000 0.948 526 D HN 0.066 8.373 8.370 -0.104 0.000 0.167 527 S N -1.905 113.769 115.700 -0.043 0.000 2.929 527 S HA 0.250 nan 4.470 nan 0.000 0.311 527 S C 1.373 175.922 174.600 -0.086 0.000 1.213 527 S CA -0.689 57.450 58.200 -0.103 0.000 0.908 527 S CB 2.154 65.276 63.200 -0.130 0.000 1.287 527 S HN -0.145 8.213 8.310 0.081 0.000 0.594 528 T N 3.349 117.837 114.554 -0.109 0.000 2.929 528 T HA -0.193 nan 4.350 nan 0.000 0.271 528 T C 0.991 175.642 174.700 -0.081 0.000 1.085 528 T CA 4.078 66.151 62.100 -0.045 0.000 1.125 528 T CB -0.318 68.556 68.868 0.009 0.000 0.874 528 T HN 0.634 8.779 8.240 -0.159 0.000 0.494 529 E N -0.218 119.927 120.200 -0.093 0.000 2.285 529 E HA -0.249 nan 4.350 nan 0.000 0.194 529 E C 1.867 178.412 176.600 -0.093 0.000 0.997 529 E CA 1.654 57.997 56.400 -0.094 0.000 0.845 529 E CB -1.349 28.321 29.700 -0.049 0.000 0.782 529 E HN -0.174 8.091 8.360 -0.101 0.034 0.491 530 Y N 2.791 122.986 120.300 -0.175 0.000 2.029 530 Y HA -0.513 nan 4.550 nan 0.000 0.269 530 Y C -0.224 175.599 175.900 -0.127 0.000 1.201 530 Y CA 3.636 61.653 58.100 -0.139 0.000 1.115 530 Y CB 0.135 38.508 38.460 -0.146 0.000 0.945 530 Y HN -0.233 7.866 8.280 0.037 0.203 0.497 531 C N -7.549 111.649 119.300 -0.171 0.000 3.730 531 C HA 0.218 nan 4.460 nan 0.000 0.397 531 C C 0.517 175.401 174.990 -0.176 0.000 1.468 531 C CA -2.252 56.577 59.018 -0.315 0.000 1.931 531 C CB 0.340 27.970 27.740 -0.184 0.000 2.773 531 C HN 0.183 8.417 8.230 0.007 0.000 0.692 532 S N 2.743 118.283 115.700 -0.267 0.000 2.361 532 S HA -0.250 nan 4.470 nan 0.000 0.214 532 S C 0.503 174.978 174.600 -0.209 0.000 1.034 532 S CA 2.913 60.765 58.200 -0.580 0.000 1.025 532 S CB 0.159 62.450 63.200 -1.515 0.000 0.996 532 S HN -0.195 7.959 8.310 -0.260 0.000 0.422 533 C N -0.509 118.692 119.300 -0.166 0.000 2.876 533 C HA -0.097 nan 4.460 nan 0.000 0.276 533 C C 0.118 175.342 174.990 0.390 0.000 1.582 533 C CA 1.515 60.681 59.018 0.247 0.000 2.061 533 C CB 0.556 28.408 27.740 0.187 0.000 2.044 533 C HN -0.281 7.663 8.230 -0.263 0.129 0.647 534 G N -0.591 108.563 108.800 0.590 0.000 2.728 534 G HA2 -0.335 nan 3.960 nan 0.000 0.686 534 G HA3 -0.335 nan 3.960 nan 0.000 0.686 534 G C -1.408 173.706 174.900 0.356 0.000 1.337 534 G CA -0.546 44.810 45.100 0.427 0.000 0.861 534 G HN 0.118 8.808 8.290 0.668 0.000 0.597 535 W N 2.030 123.308 121.300 -0.037 0.000 2.190 535 W HA 0.034 nan 4.660 nan 0.000 0.330 535 W C -1.338 175.138 176.519 -0.072 0.000 1.299 535 W CA -1.758 55.489 57.345 -0.163 0.000 1.215 535 W CB 1.176 30.677 29.460 0.067 0.000 1.147 535 W HN 0.577 9.006 8.180 0.415 0.000 0.563 536 P HA -0.173 nan 4.420 nan 0.000 0.265 536 P C -0.961 176.182 177.300 -0.262 0.000 1.193 536 P CA 0.347 63.246 63.100 -0.335 0.000 0.765 536 P CB 0.382 31.742 31.700 -0.567 0.000 0.823 537 E N 4.126 124.265 120.200 -0.101 0.000 2.077 537 E HA -0.400 nan 4.350 nan 0.000 0.193 537 E C 2.035 178.671 176.600 0.061 0.000 0.989 537 E CA 3.468 59.897 56.400 0.048 0.000 0.800 537 E CB 0.057 29.802 29.700 0.076 0.000 0.746 537 E HN 0.720 9.042 8.360 -0.063 0.000 0.452 538 H N -3.389 115.709 119.070 0.045 0.000 2.421 538 H HA -0.167 nan 4.556 nan 0.000 0.298 538 H C 1.796 177.276 175.328 0.254 0.000 1.087 538 H CA 2.410 58.506 56.048 0.080 0.000 1.330 538 H CB -0.739 29.063 29.762 0.067 0.000 1.388 538 H HN 0.226 8.461 8.280 -0.074 0.000 0.526 539 M N -1.988 117.531 119.600 -0.134 0.000 2.630 539 M HA -0.093 nan 4.480 nan 0.000 0.254 539 M C 1.691 178.200 176.300 0.349 0.000 1.092 539 M CA -0.400 54.960 55.300 0.099 0.000 1.087 539 M CB -1.521 30.987 32.600 -0.154 0.000 1.453 539 M HN -0.695 7.181 8.290 -0.611 0.047 0.509 540 L N -0.032 121.417 121.223 0.377 0.000 2.043 540 L HA -0.275 nan 4.340 nan 0.000 0.212 540 L C -0.454 176.538 176.870 0.203 0.000 1.075 540 L CA 2.936 57.986 54.840 0.349 0.000 0.752 540 L CB 0.233 42.533 42.059 0.402 0.000 0.891 540 L HN -0.510 7.774 8.230 0.384 0.176 0.432 541 I N -4.625 116.007 120.570 0.103 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.987 174.152 176.117 0.036 0.000 1.033 541 I CA -3.557 57.719 61.300 -0.040 0.000 1.071 541 I CB 0.835 38.690 38.000 -0.242 0.000 1.255 541 I HN -0.521 7.795 8.210 0.189 0.008 0.445 542 P HA 0.074 nan 4.420 nan 0.000 0.272 542 P C -1.426 175.892 177.300 0.029 0.000 1.240 542 P CA -0.623 62.476 63.100 -0.002 0.000 0.791 542 P CB 0.640 32.274 31.700 -0.110 0.000 0.978 543 R N 0.282 120.841 120.500 0.099 0.000 2.081 543 R HA -0.290 nan 4.340 nan 0.000 0.235 543 R C 0.692 177.051 176.300 0.099 0.000 1.131 543 R CA 1.121 57.248 56.100 0.044 0.000 0.960 543 R CB 0.583 30.754 30.300 -0.215 0.000 0.856 543 R HN -0.110 8.495 8.270 0.165 -0.236 0.436 544 G N -2.127 106.753 108.800 0.133 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.007 173.987 174.900 0.157 0.000 1.312 544 G CA -0.322 44.913 45.100 0.226 0.000 0.896 544 G HN -0.667 7.708 8.290 0.140 0.000 0.574 545 S N -0.557 115.245 115.700 0.170 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.208 174.927 174.600 0.198 0.000 1.159 545 S CA -1.581 56.712 58.200 0.154 0.000 0.833 545 S CB 2.844 66.097 63.200 0.088 0.000 1.151 545 S HN -0.400 8.020 8.310 0.183 0.000 0.485 546 H N 4.135 123.286 119.070 0.136 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.557 174.812 175.328 0.069 0.000 1.087 546 H CA 3.203 59.321 56.048 0.117 0.000 1.330 546 H CB 0.336 30.147 29.762 0.083 0.000 1.388 546 H HN 0.703 9.156 8.280 0.288 0.000 0.526 547 K N -5.590 114.893 120.400 0.139 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.163 176.774 176.600 0.018 0.000 1.050 547 K CA 0.303 56.629 56.287 0.065 0.000 0.945 547 K CB -0.143 32.375 32.500 0.030 0.000 0.732 547 K HN -0.221 8.120 8.250 0.171 0.012 0.451 548 G N 0.837 109.658 108.800 0.035 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.387 173.550 174.900 0.063 0.000 1.013 548 G CA -0.533 44.596 45.100 0.048 0.000 1.226 548 G HN -0.424 7.720 8.290 0.061 0.183 0.563 549 M N 2.106 121.773 119.600 0.112 0.000 2.243 549 M HA -0.045 nan 4.480 nan 0.000 0.341 549 M C -1.496 174.877 176.300 0.121 0.000 1.130 549 M CA 0.537 55.877 55.300 0.066 0.000 1.162 549 M CB 2.197 34.856 32.600 0.098 0.000 1.497 549 M HN 0.079 8.468 8.290 0.166 0.000 0.456 550 E N 3.241 123.458 120.200 0.028 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.932 175.549 176.600 -0.197 0.000 1.015 550 E CA -0.180 56.268 56.400 0.081 0.000 0.823 550 E CB 1.319 31.134 29.700 0.192 0.000 1.081 550 E HN 0.225 8.596 8.360 0.018 0.000 0.396 551 F N 3.091 123.078 119.950 0.061 0.000 2.576 551 F HA 0.541 nan 4.527 nan 0.000 0.313 551 F C -1.594 174.231 175.800 0.042 0.000 1.078 551 F CA -1.376 56.644 58.000 0.033 0.000 0.921 551 F CB 4.357 43.370 39.000 0.022 0.000 1.232 551 F HN 0.594 9.073 8.300 0.300 0.000 0.459 552 E N 1.518 121.848 120.200 0.216 0.000 2.313 552 E HA 0.434 nan 4.350 nan 0.000 0.276 552 E C -1.838 174.934 176.600 0.286 0.000 1.031 552 E CA -0.840 55.688 56.400 0.214 0.000 0.857 552 E CB 2.408 32.233 29.700 0.208 0.000 1.040 552 E HN 0.819 9.179 8.360 0.156 0.093 0.408 553 L N 6.897 128.273 121.223 0.254 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.776 176.870 0.291 0.000 1.013 553 L CA -0.794 54.192 54.840 0.243 0.000 0.819 553 L CB 2.351 44.505 42.059 0.159 0.000 1.227 553 L HN 0.407 8.663 8.230 0.212 0.101 0.417 554 F N 9.498 129.565 119.950 0.194 0.000 2.482 554 F HA 0.673 nan 4.527 nan 0.000 0.331 554 F C -2.410 173.475 175.800 0.142 0.000 1.115 554 F CA -1.921 56.193 58.000 0.191 0.000 0.955 554 F CB 3.546 42.710 39.000 0.273 0.000 1.136 554 F HN 0.764 9.326 8.300 0.438 0.000 0.452 555 V N 8.458 128.007 119.914 -0.609 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.140 176.094 -0.704 0.000 1.042 555 V CA -1.439 60.596 62.300 -0.441 0.000 0.877 555 V CB 2.950 34.609 31.823 -0.274 0.000 0.996 555 V HN 0.990 8.692 8.190 -0.813 0.000 0.425 556 M N 5.546 124.928 119.600 -0.363 0.000 2.457 556 M HA 0.856 nan 4.480 nan 0.000 0.300 556 M C -2.648 173.578 176.300 -0.124 0.000 1.141 556 M CA -1.287 53.872 55.300 -0.234 0.000 0.901 556 M CB 4.399 37.018 32.600 0.033 0.000 1.687 556 M HN 0.669 8.853 8.290 -0.178 0.000 0.449 557 L N 5.223 126.384 121.223 -0.104 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.709 175.099 176.870 -0.104 0.000 1.006 557 L CA -0.748 54.010 54.840 -0.136 0.000 0.817 557 L CB 1.951 43.914 42.059 -0.160 0.000 1.272 557 L HN 0.437 8.613 8.230 -0.090 0.000 0.421 558 T N 2.242 116.696 114.554 -0.167 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.923 172.544 174.700 -0.389 0.000 1.064 558 T CA -1.675 60.334 62.100 -0.152 0.000 1.011 558 T CB 3.250 72.105 68.868 -0.021 0.000 1.152 558 T HN -0.005 8.116 8.240 -0.199 0.000 0.510 559 D N 1.174 121.367 120.400 -0.345 0.000 2.358 559 D HA 0.044 nan 4.640 nan 0.000 0.258 559 D C 0.398 176.662 176.300 -0.060 0.000 1.223 559 D CA -0.532 53.272 54.000 -0.327 0.000 0.886 559 D CB 0.554 41.481 40.800 0.212 0.000 1.120 559 D HN 0.378 8.701 8.370 -0.079 0.000 0.482 560 H N 8.654 127.697 119.070 -0.045 0.000 2.389 560 H HA -0.330 nan 4.556 nan 0.000 0.299 560 H C 1.728 177.081 175.328 0.043 0.000 1.081 560 H CA 4.082 60.179 56.048 0.083 0.000 1.345 560 H CB 0.635 30.615 29.762 0.364 0.000 1.393 560 H HN 0.245 8.570 8.280 0.076 0.000 0.520 561 D N -0.525 119.948 120.400 0.121 0.000 2.123 561 D HA -0.263 nan 4.640 nan 0.000 0.196 561 D C 1.794 178.059 176.300 -0.059 0.000 0.992 561 D CA 3.118 57.138 54.000 0.034 0.000 0.833 561 D CB -0.499 40.366 40.800 0.108 0.000 0.954 561 D HN -0.111 8.681 8.370 0.221 -0.289 0.455 562 E N -0.893 119.289 120.200 -0.031 0.000 2.047 562 E HA -0.220 nan 4.350 nan 0.000 0.191 562 E C 1.266 177.787 176.600 -0.132 0.000 0.987 562 E CA 2.190 58.556 56.400 -0.056 0.000 0.799 562 E CB 0.230 29.915 29.700 -0.025 0.000 0.752 562 E HN -0.478 7.894 8.360 0.024 0.002 0.449 563 D N -2.056 118.229 120.400 -0.192 0.000 2.144 563 D HA -0.136 nan 4.640 nan 0.000 0.199 563 D C 0.251 176.380 176.300 -0.285 0.000 0.984 563 D CA 1.861 55.723 54.000 -0.229 0.000 0.834 563 D CB 0.443 41.111 40.800 -0.221 0.000 0.955 563 D HN -0.469 7.736 8.370 -0.165 0.065 0.465 564 T N -0.964 113.314 114.554 -0.460 0.000 2.899 564 T HA 0.065 nan 4.350 nan 0.000 0.284 564 T C -0.024 174.559 174.700 -0.196 0.000 1.004 564 T CA 0.086 61.964 62.100 -0.370 0.000 1.043 564 T CB 0.852 69.433 68.868 -0.480 0.000 1.013 564 T HN -0.300 7.593 8.240 -0.578 0.000 0.518 565 V N -0.156 119.681 119.914 -0.130 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.030 175.022 176.094 -0.070 0.000 1.060 565 V CA -2.908 59.345 62.300 -0.078 0.000 0.989 565 V CB 1.370 33.166 31.823 -0.045 0.000 1.041 565 V HN 0.111 8.223 8.190 -0.130 0.000 0.459 566 A N 2.194 124.984 122.820 -0.049 0.000 2.325 566 A HA 0.572 nan 4.320 nan 0.000 0.333 566 A C -0.630 176.938 177.584 -0.027 0.000 1.155 566 A CA -0.395 51.617 52.037 -0.042 0.000 0.814 566 A CB 1.620 20.598 19.000 -0.037 0.000 1.206 566 A HN 0.371 8.497 8.150 -0.040 0.000 0.482 567 G N -1.069 107.715 108.800 -0.025 0.000 2.322 567 G HA2 0.083 nan 3.960 nan 0.000 0.295 567 G HA3 0.083 nan 3.960 nan 0.000 0.295 567 G C -1.969 172.921 174.900 -0.017 0.000 1.369 567 G CA -0.201 44.890 45.100 -0.015 0.000 0.821 567 G HN -0.123 8.148 8.290 -0.032 0.000 0.536 568 L N 0.837 122.054 121.223 -0.010 0.000 2.377 568 L HA 0.406 nan 4.340 nan 0.000 0.270 568 L C -0.482 176.384 176.870 -0.007 0.000 0.991 568 L CA 0.216 55.049 54.840 -0.012 0.000 0.851 568 L CB 0.996 43.050 42.059 -0.009 0.000 1.218 568 L HN 0.256 8.484 8.230 -0.004 0.000 0.420 569 S N 3.639 119.332 115.700 -0.012 0.000 4.225 569 S HA 0.202 nan 4.470 nan 0.000 0.215 569 S C -1.005 173.588 174.600 -0.012 0.000 1.051 569 S CA -0.907 57.288 58.200 -0.008 0.000 1.729 569 S CB 1.026 64.221 63.200 -0.009 0.000 0.892 569 S HN 0.344 8.643 8.310 -0.018 0.000 0.720 570 E N 1.257 121.448 120.200 -0.015 0.000 2.405 570 E HA 0.182 nan 4.350 nan 0.000 0.249 570 E C -0.850 175.738 176.600 -0.021 0.000 1.028 570 E CA -0.672 55.718 56.400 -0.016 0.000 0.897 570 E CB 1.521 31.212 29.700 -0.015 0.000 1.262 570 E HN 0.147 8.497 8.360 -0.015 0.000 0.442 571 N N -0.901 117.787 118.700 -0.021 0.000 2.235 571 N HA -0.106 nan 4.740 nan 0.000 0.231 571 N C -1.177 174.319 175.510 -0.023 0.000 1.330 571 N CA -0.080 52.957 53.050 -0.023 0.000 0.898 571 N CB 0.457 38.930 38.487 -0.022 0.000 1.151 571 N HN -0.098 8.270 8.380 -0.020 0.000 0.472 572 A N -0.632 122.174 122.820 -0.024 0.000 2.476 572 A HA -0.000 nan 4.320 nan 0.000 0.275 572 A C -1.140 176.432 177.584 -0.020 0.000 1.133 572 A CA 0.502 52.525 52.037 -0.023 0.000 0.797 572 A CB -0.199 18.787 19.000 -0.024 0.000 1.081 572 A HN 0.101 8.237 8.150 -0.024 0.000 0.510 573 V N 3.151 123.053 119.914 -0.019 0.000 3.528 573 V HA 0.323 nan 4.120 nan 0.000 0.301 573 V C -0.867 175.217 176.094 -0.016 0.000 1.332 573 V CA -2.101 60.190 62.300 -0.015 0.000 1.004 573 V CB 3.757 35.570 31.823 -0.016 0.000 1.222 573 V HN -0.126 8.051 8.190 -0.021 0.000 0.478 574 C N 2.433 121.726 119.300 -0.012 0.000 2.551 574 C HA 0.225 nan 4.460 nan 0.000 0.378 574 C C 0.342 175.328 174.990 -0.008 0.000 1.101 574 C CA 0.306 59.315 59.018 -0.015 0.000 1.360 574 C CB -2.841 24.894 27.740 -0.009 0.000 1.895 574 C HN 0.070 8.294 8.230 -0.010 0.000 0.540 575 S N 6.587 122.278 115.700 -0.014 0.000 2.679 575 S HA 0.092 nan 4.470 nan 0.000 0.258 575 S C 1.108 175.703 174.600 -0.009 0.000 1.068 575 S CA 1.032 59.226 58.200 -0.010 0.000 1.115 575 S CB 1.355 64.543 63.200 -0.020 0.000 1.078 575 S HN 0.423 8.692 8.310 -0.023 0.027 0.603 576 D N 3.824 124.213 120.400 -0.018 0.000 2.370 576 D HA -0.351 nan 4.640 nan 0.000 0.190 576 D C -0.417 175.880 176.300 -0.006 0.000 1.019 576 D CA 2.971 56.958 54.000 -0.022 0.000 0.869 576 D CB -0.043 40.732 40.800 -0.041 0.000 0.944 576 D HN 0.366 8.720 8.370 -0.027 0.000 0.456 577 A N -3.274 119.557 122.820 0.018 0.000 2.462 577 A HA 0.224 nan 4.320 nan 0.000 0.261 577 A C 1.184 178.820 177.584 0.086 0.000 1.323 577 A CA -0.525 51.544 52.037 0.053 0.000 0.913 577 A CB -0.301 18.765 19.000 0.110 0.000 1.028 577 A HN -0.182 7.967 8.150 0.018 0.011 0.511 578 V N -2.889 117.053 119.914 0.046 0.000 2.370 578 V HA -0.542 nan 4.120 nan 0.000 0.252 578 V C 1.926 178.096 176.094 0.128 0.000 1.068 578 V CA 3.415 65.743 62.300 0.047 0.000 1.061 578 V CB -1.347 30.435 31.823 -0.068 0.000 0.656 578 V HN -0.199 7.918 8.190 0.017 0.083 0.455 579 S N 2.116 117.856 115.700 0.066 0.000 2.374 579 S HA -0.343 nan 4.470 nan 0.000 0.227 579 S C 2.100 176.941 174.600 0.401 0.000 1.037 579 S CA 3.906 62.177 58.200 0.117 0.000 1.024 579 S CB -0.051 63.047 63.200 -0.171 0.000 0.861 579 S HN -0.455 7.820 8.310 -0.013 0.027 0.456 580 Y N -1.330 119.179 120.300 0.348 0.000 2.558 580 Y HA 0.159 nan 4.550 nan 0.000 0.273 580 Y C 1.548 177.756 175.900 0.513 0.000 1.100 580 Y CA 0.172 58.524 58.100 0.419 0.000 1.276 580 Y CB -0.005 38.655 38.460 0.334 0.000 1.196 580 Y HN -0.720 7.682 8.280 0.236 0.020 0.527 581 C N -3.784 115.876 119.300 0.600 0.000 2.504 581 C HA 0.094 nan 4.460 nan 0.000 0.279 581 C C 0.316 175.560 174.990 0.423 0.000 1.358 581 C CA 1.885 61.205 59.018 0.503 0.000 1.747 581 C CB -0.081 27.887 27.740 0.380 0.000 2.037 581 C HN -0.321 8.201 8.230 0.486 0.000 0.503 582 G N -1.157 107.879 108.800 0.393 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.395 172.594 174.900 0.149 0.000 1.345 582 G CA -0.590 44.713 45.100 0.339 0.000 0.877 582 G HN -0.348 8.033 8.290 0.367 0.129 0.549 583 A N -0.250 122.623 122.820 0.088 0.000 2.356 583 A HA 0.305 nan 4.320 nan 0.000 0.323 583 A C -0.916 176.679 177.584 0.018 0.000 1.119 583 A CA -1.549 50.504 52.037 0.026 0.000 0.790 583 A CB 2.584 21.575 19.000 -0.015 0.000 1.273 583 A HN 0.221 8.446 8.150 0.125 0.000 0.452 584 R N 2.136 122.633 120.500 -0.005 0.000 2.484 584 R HA -0.285 nan 4.340 nan 0.000 0.293 584 R C -0.153 176.139 176.300 -0.014 0.000 1.023 584 R CA 0.944 57.029 56.100 -0.025 0.000 1.037 584 R CB -0.248 30.036 30.300 -0.027 0.000 0.951 584 R HN 0.340 8.607 8.270 -0.005 0.000 0.418 585 D N 3.949 124.338 120.400 -0.018 0.000 2.701 585 D HA -0.289 nan 4.640 nan 0.000 0.235 585 D C -1.632 174.676 176.300 0.013 0.000 1.155 585 D CA 1.542 55.545 54.000 0.005 0.000 0.649 585 D CB -0.442 40.370 40.800 0.019 0.000 1.050 585 D HN 0.246 8.590 8.370 -0.043 0.000 0.425 586 D N -1.918 118.492 120.400 0.015 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.553 176.300 0.044 0.000 1.178 586 D CA -1.173 52.839 54.000 0.020 0.000 0.881 586 D CB 2.379 43.180 40.800 0.002 0.000 1.453 586 D HN -0.783 7.587 8.370 0.015 0.009 0.447 587 R N 2.884 123.411 120.500 0.044 0.000 2.582 587 R HA 0.013 nan 4.340 nan 0.000 0.271 587 R C -0.770 175.585 176.300 0.092 0.000 1.078 587 R CA -0.192 55.954 56.100 0.077 0.000 1.127 587 R CB 1.095 31.429 30.300 0.056 0.000 1.038 587 R HN 0.391 8.677 8.270 0.027 0.000 0.500 588 Y N 3.887 124.203 120.300 0.027 0.000 2.632 588 Y HA -0.067 nan 4.550 nan 0.000 0.329 588 Y C -1.715 174.186 175.900 0.002 0.000 1.174 588 Y CA -1.573 56.543 58.100 0.026 0.000 1.469 588 Y CB 1.001 39.474 38.460 0.022 0.000 1.242 588 Y HN 0.244 8.680 8.280 0.261 0.000 0.540 589 P HA -0.083 nan 4.420 nan 0.000 0.239 589 P C -1.991 175.186 177.300 -0.204 0.000 1.184 589 P CA 0.773 63.709 63.100 -0.274 0.000 0.760 589 P CB 0.239 31.776 31.700 -0.272 0.000 0.884 590 D N -3.559 116.768 120.400 -0.121 0.000 2.505 590 D HA 0.094 nan 4.640 nan 0.000 0.249 590 D C -0.903 175.459 176.300 0.102 0.000 1.082 590 D CA -1.643 52.368 54.000 0.018 0.000 0.839 590 D CB 2.322 43.189 40.800 0.111 0.000 1.317 590 D HN -0.943 7.342 8.370 -0.029 0.068 0.497 591 K N 3.985 124.372 120.400 -0.020 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.996 177.556 176.600 -0.067 0.000 1.050 591 K CA 1.181 57.442 56.287 -0.043 0.000 0.938 591 K CB 0.504 32.949 32.500 -0.092 0.000 0.718 591 K HN 0.276 8.379 8.250 -0.076 0.101 0.442 592 K N -0.913 119.416 120.400 -0.119 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.350 176.206 176.600 -0.073 0.000 0.990 592 K CA -0.024 56.134 56.287 -0.215 0.000 0.946 592 K CB 0.324 32.590 32.500 -0.389 0.000 0.937 592 K HN -0.608 7.861 8.250 -0.113 -0.287 0.491 593 A N 1.108 123.901 122.820 -0.046 0.000 2.483 593 A HA 0.110 nan 4.320 nan 0.000 0.238 593 A C 0.363 177.980 177.584 0.055 0.000 1.070 593 A CA 0.294 52.345 52.037 0.023 0.000 0.770 593 A CB 0.456 19.515 19.000 0.098 0.000 1.008 593 A HN 0.211 8.299 8.150 -0.102 0.000 0.497 594 M N 2.619 122.191 119.600 -0.047 0.000 2.246 594 M HA -0.312 nan 4.480 nan 0.000 0.350 594 M C 0.810 177.153 176.300 0.072 0.000 1.406 594 M CA 2.180 57.357 55.300 -0.205 0.000 1.089 594 M CB -0.038 32.175 32.600 -0.646 0.000 1.782 594 M HN -0.215 8.272 8.290 -0.055 -0.230 0.457 595 G N 0.995 109.915 108.800 0.201 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.718 174.297 174.900 0.191 0.000 0.986 595 G CA -0.426 44.914 45.100 0.401 0.000 0.643 595 G HN 0.294 8.678 8.290 0.157 0.000 0.522 596 F N 3.324 123.287 119.950 0.022 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.196 173.426 175.800 -0.297 0.000 1.126 596 F CA -0.965 56.948 58.000 -0.144 0.000 1.321 596 F CB 1.125 40.043 39.000 -0.136 0.000 1.094 596 F HN -0.514 7.915 8.300 0.326 0.067 0.594 597 P HA -0.047 nan 4.420 nan 0.000 0.245 597 P C 0.018 176.637 177.300 -1.134 0.000 1.212 597 P CA 0.977 62.927 63.100 -1.917 0.000 0.774 597 P CB -0.072 30.580 31.700 -1.747 0.000 0.999 598 F N -0.798 118.779 119.950 -0.623 0.000 2.407 598 F HA -0.339 nan 4.527 nan 0.000 0.299 598 F C 0.522 176.234 175.800 -0.147 0.000 1.097 598 F CA 2.881 60.599 58.000 -0.470 0.000 1.422 598 F CB -0.927 37.746 39.000 -0.544 0.000 1.067 598 F HN -0.043 7.640 8.300 -0.890 0.083 0.539 599 D N -2.836 117.638 120.400 0.124 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.367 176.760 176.300 0.154 0.000 0.980 599 D CA 2.176 56.296 54.000 0.200 0.000 0.842 599 D CB -0.453 40.491 40.800 0.239 0.000 0.948 599 D HN 0.023 8.387 8.370 0.071 0.049 0.472 600 R N -1.586 119.008 120.500 0.157 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.363 175.954 176.300 0.028 0.000 1.048 600 R CA -1.208 54.919 56.100 0.045 0.000 1.086 600 R CB 1.504 31.705 30.300 -0.165 0.000 1.166 600 R HN -0.897 7.532 8.270 0.263 0.000 0.526 601 K N 0.901 121.306 120.400 0.009 0.000 2.436 601 K HA -0.111 nan 4.320 nan 0.000 0.275 601 K C -0.656 175.957 176.600 0.022 0.000 0.999 601 K CA 0.520 56.814 56.287 0.013 0.000 0.980 601 K CB 0.386 32.890 32.500 0.006 0.000 0.919 601 K HN 0.261 8.508 8.250 -0.005 0.000 0.484 602 I N 5.009 125.585 120.570 0.010 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.782 175.374 176.117 0.065 0.000 0.994 602 I CA -0.687 60.631 61.300 0.030 0.000 1.158 602 I CB 1.012 38.958 38.000 -0.091 0.000 1.315 602 I HN 0.138 8.350 8.210 0.004 0.000 0.451 603 E N 7.062 127.328 120.200 0.111 0.000 2.106 603 E HA -0.184 nan 4.350 nan 0.000 0.192 603 E C -0.229 176.421 176.600 0.083 0.000 0.984 603 E CA 1.857 58.309 56.400 0.087 0.000 0.806 603 E CB 0.438 30.194 29.700 0.093 0.000 0.750 603 E HN 0.379 8.837 8.360 0.163 0.000 0.458 604 A N -3.022 119.871 122.820 0.121 0.000 2.407 604 A HA 0.045 nan 4.320 nan 0.000 0.248 604 A C 0.632 178.260 177.584 0.073 0.000 1.082 604 A CA 0.297 52.397 52.037 0.106 0.000 0.785 604 A CB 0.552 19.644 19.000 0.153 0.000 1.020 604 A HN -0.414 7.815 8.150 0.175 0.026 0.489 605 R N -0.199 120.334 120.500 0.055 0.000 2.090 605 R HA -0.141 nan 4.340 nan 0.000 0.228 605 R C -0.007 176.315 176.300 0.036 0.000 1.110 605 R CA 1.304 57.425 56.100 0.035 0.000 0.973 605 R CB 0.315 30.630 30.300 0.025 0.000 0.869 605 R HN 0.469 8.773 8.270 0.056 0.000 0.440 606 T N -3.995 110.592 114.554 0.054 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.618 174.140 174.700 0.098 0.000 1.034 606 T CA -2.121 60.013 62.100 0.056 0.000 1.010 606 T CB 2.795 71.691 68.868 0.046 0.000 1.068 606 T HN -0.935 7.345 8.240 0.066 0.000 0.481 607 A N 4.955 127.836 122.820 0.102 0.000 1.933 607 A HA -0.168 nan 4.320 nan 0.000 0.218 607 A C 1.604 179.312 177.584 0.206 0.000 1.175 607 A CA 3.101 55.231 52.037 0.154 0.000 0.628 607 A CB -0.186 18.914 19.000 0.166 0.000 0.814 607 A HN 0.429 8.622 8.150 0.072 0.000 0.444 608 A N -2.283 120.629 122.820 0.154 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.377 180.046 177.584 0.141 0.000 1.176 608 A CA 2.738 54.863 52.037 0.146 0.000 0.631 608 A CB -0.639 18.417 19.000 0.095 0.000 0.814 608 A HN -0.341 7.857 8.150 0.116 0.021 0.446 609 E N -1.883 118.393 120.200 0.128 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.717 176.600 0.112 0.000 0.988 609 E CA 1.952 58.411 56.400 0.100 0.000 0.811 609 E CB -0.190 29.563 29.700 0.089 0.000 0.746 609 E HN -0.562 7.759 8.360 0.124 0.114 0.466 610 F N -2.743 117.230 119.950 0.039 0.000 2.186 610 F HA -0.226 nan 4.527 nan 0.000 0.299 610 F C -0.288 175.533 175.800 0.036 0.000 1.090 610 F CA 1.415 59.428 58.000 0.023 0.000 1.307 610 F CB 0.623 39.620 39.000 -0.006 0.000 1.019 610 F HN -0.682 7.644 8.300 0.313 0.162 0.489 611 L N -1.013 120.293 121.223 0.138 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.389 177.224 176.870 -0.058 0.000 1.218 611 L CA 0.853 55.755 54.840 0.104 0.000 0.878 611 L CB -0.154 42.000 42.059 0.157 0.000 1.127 611 L HN -0.709 7.498 8.230 0.216 0.153 0.492 612 T N -0.353 114.159 114.554 -0.069 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.608 174.079 174.700 -0.022 0.000 0.989 612 T CA -3.106 58.951 62.100 -0.073 0.000 0.968 612 T CB 0.477 69.295 68.868 -0.083 0.000 1.135 612 T HN -0.520 7.713 8.240 -0.012 0.000 0.562 613 P HA -0.030 nan 4.420 nan 0.000 0.223 613 P C -0.754 176.547 177.300 0.002 0.000 1.151 613 P CA 1.933 65.030 63.100 -0.005 0.000 0.787 613 P CB 0.139 31.835 31.700 -0.005 0.000 0.788 614 N N -4.037 114.673 118.700 0.017 0.000 2.327 614 N HA 0.016 nan 4.740 nan 0.000 0.231 614 N C -1.594 173.889 175.510 -0.046 0.000 1.130 614 N CA -0.826 52.236 53.050 0.019 0.000 0.845 614 N CB -0.280 38.265 38.487 0.097 0.000 1.073 614 N HN -0.460 7.890 8.380 0.019 0.041 0.496 615 M N -1.147 118.410 119.600 -0.073 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.417 174.764 176.300 -0.198 0.000 1.229 615 M CA -0.416 54.766 55.300 -0.197 0.000 0.860 615 M CB 5.272 37.880 32.600 0.014 0.000 1.741 615 M HN -0.696 7.478 8.290 -0.040 0.092 0.462 616 G N -1.017 107.556 108.800 -0.378 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.575 171.245 174.900 -0.133 0.000 1.436 616 G CA 0.126 45.126 45.100 -0.167 0.000 0.928 616 G HN 0.468 8.278 8.290 -0.801 0.000 0.520 617 L N 0.171 121.424 121.223 0.050 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.879 176.053 176.870 0.103 0.000 0.988 617 L CA -0.613 54.317 54.840 0.149 0.000 0.824 617 L CB 3.031 45.237 42.059 0.246 0.000 1.263 617 L HN 0.053 8.317 8.230 0.056 0.000 0.410 618 T N 5.753 120.372 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.782 174.700 0.106 0.000 0.993 618 T CA -1.188 60.965 62.100 0.088 0.000 0.967 618 T CB 2.132 71.047 68.868 0.077 0.000 0.960 618 T HN 0.744 8.951 8.240 0.134 0.113 0.441 619 D N 4.555 125.008 120.400 0.088 0.000 2.249 619 D HA 0.651 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.327 176.300 0.088 0.000 1.114 619 D CA -0.928 53.128 54.000 0.093 0.000 0.854 619 D CB 0.492 41.333 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.499 116.138 120.570 0.111 0.000 3.108 620 I HA 0.749 nan 4.170 nan 0.000 0.312 620 I C -1.877 174.316 176.117 0.126 0.000 1.095 620 I CA -2.569 58.781 61.300 0.085 0.000 1.000 620 I CB 3.828 41.854 38.000 0.043 0.000 1.229 620 I HN 0.393 8.691 8.210 0.147 0.000 0.454 621 K N -0.635 119.818 120.400 0.090 0.000 2.259 621 K HA 0.765 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.080 176.600 0.097 0.000 0.942 621 K CA -2.231 54.132 56.287 0.126 0.000 0.816 621 K CB 3.062 35.607 32.500 0.075 0.000 1.155 621 K HN 0.267 8.542 8.250 0.042 0.000 0.428 622 I N 2.684 123.354 120.570 0.167 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.040 174.144 176.117 0.111 0.000 0.999 622 I CA -0.984 60.367 61.300 0.086 0.000 1.129 622 I CB 1.943 39.964 38.000 0.034 0.000 1.288 622 I HN 0.700 9.078 8.210 0.280 0.000 0.444 623 K N 5.120 125.557 120.400 0.062 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.874 176.600 0.082 0.000 0.934 623 K CA -2.343 53.973 56.287 0.049 0.000 0.801 623 K CB 2.772 35.243 32.500 -0.049 0.000 1.137 623 K HN 0.569 8.839 8.250 0.033 0.000 0.424 624 F N 4.898 124.847 119.950 -0.001 0.000 2.375 624 F HA 0.343 nan 4.527 nan 0.000 0.333 624 F C -1.649 174.198 175.800 0.078 0.000 1.104 624 F CA -0.972 57.052 58.000 0.039 0.000 1.149 624 F CB 2.666 41.686 39.000 0.034 0.000 1.190 624 F HN 0.544 8.825 8.300 0.254 0.171 0.533 625 H N 7.118 125.544 119.070 -1.073 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.223 173.672 175.328 -0.723 0.000 1.066 625 H CA -1.697 53.988 56.048 -0.605 0.000 1.209 625 H CB 3.245 32.742 29.762 -0.441 0.000 1.445 625 H HN 0.330 7.501 8.280 -1.848 0.000 0.488 626 G N 0.000 108.525 108.800 -0.458 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 45.010 45.100 -0.151 0.000 0.502 626 G HN 0.000 8.008 8.290 -0.470 0.000 0.925